SCHEMBL7718541

SCHEMBL7718541

c1ccc(CCCN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 1.00
HTR1A P08908 1/20 0.80
DRD2 P14416 1/20 0.80
KCNH2 Q12809 1/20 0.73
OPRM1 P35372 1/20 0.73
HTR7 P34969 2/20 0.71
POLB P06746 1/20 0.67
CYP2D6 P10635 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30671734 0.95 SIGMAR1 (1.00) SIGMAR1HTR1ADRD2KCNH2OPRM1
SCHEMBL30671733 0.93 SIGMAR1 (0.97) SIGMAR1HTR1ADRD2KCNH2OPRM1
SCHEMBL6509439 0.89 DRD2 (1.00) SIGMAR1HTR1ADRD2KCNH2
SCHEMBL15961331 0.89 MAPT (0.83) SIGMAR1HTR1ADRD2KCNH2OPRM1
SCHEMBL9373810 0.89 SIGMAR1 (1.00) SIGMAR1HTR1ADRD2
SCHEMBL5539548 0.89 SIGMAR1 (0.79) SIGMAR1HTR1ADRD2KCNH2OPRM1
SCHEMBL5539541 0.89 SIGMAR1 (0.79) SIGMAR1HTR1ADRD2KCNH2OPRM1
SCHEMBL15961278 0.89 SIGMAR1 (0.79) SIGMAR1HTR1ADRD2KCNH2OPRM1
SCHEMBL5542427 0.89 SIGMAR1 (0.79) SIGMAR1HTR1ADRD2KCNH2OPRM1
SCHEMBL11563433 0.89 SIGMAR1 (0.79) SIGMAR1HTR1ADRD2KCNH2OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395739-B1 CARDIOVASCUALR DISORDERS; HYPOTENSIVE AGENTS ZERIA PHARMACEUTICAL CO., LTD. (JP) 2002-05-28 US claimed
EP-1090913-A1 N-PHENYL-N'-PHENYLPROPYLPIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Zeria Pharmaceutical Co., Ltd. (JP) 2001-04-11 EP claimed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP claimed
EP-0507863-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF 1993-07-07 EP claimed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO claimed
EP-0507863-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1992-10-14 EP claimed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO claimed
WO-2017216805-A1 INTERMEDIATES AND PROCESSES FOR PREPARATION OF VORTIOXETINE LAKSHMI PRASAD ALAPARTHI (IN) 2017-12-21 WO disclosed
US-9212190-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2015-12-15 US disclosed
US-8815852-B2 Carbamoyloxy arylalkan arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-08-26 US disclosed
US-6395739-B1 CARDIOVASCUALR DISORDERS; HYPOTENSIVE AGENTS ZERIA PHARMACEUTICAL CO., LTD. (JP) 2002-05-28 US disclosed
US-6395739-B1 CARDIOVASCUALR DISORDERS; HYPOTENSIVE AGENTS ZERIA PHARMACEUTICAL CO., LTD. (JP) 2002-05-28 US disclosed
US-6395739-B1 CARDIOVASCUALR DISORDERS; HYPOTENSIVE AGENTS ZERIA PHARMACEUTICAL CO., LTD. (JP) 2002-05-28 US disclosed
EP-1090913-A4 N-PHENYL-N'-PHENYLPROPYLPIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF ZERIA PHARM CO LTD (JP) 2001-11-07 EP disclosed
CN-1307563-A N-phenyl-N' -phenylpropylpiperazine derivatives and process for the preparation thereof ZERIA PHARM CO LTD (JP) 2001-08-08 CN disclosed
CN-1307563-A N-phenyl-N' -phenylpropylpiperazine derivatives and process for the preparation thereof ZERIA PHARM CO LTD (JP) 2001-08-08 CN disclosed
EP-1090913-A1 N-PHENYL-N'-PHENYLPROPYLPIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Zeria Pharmaceutical Co., Ltd. (JP) 2001-04-11 EP disclosed
EP-1090913-A1 N-PHENYL-N'-PHENYLPROPYLPIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Zeria Pharmaceutical Co., Ltd. (JP) 2001-04-11 EP disclosed
WO-2000000471-A1 N-PHENYL-N'-PHENYLPROPYLPIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-01-06 WO disclosed