SCHEMBL6935906

SCHEMBL6935906

CCOC(=O)N1CCN(Cc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
TSHR P16473 3/20 0.64
KDM4E B2RXH2 2/20 0.64
MAPT P10636 4/20 0.60
POLB P06746 2/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
ALOX15 P16050 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTT P42858 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPC1 O15118 1/20 0.55
MPI P34949 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL17005888 0.86 VEGFA (0.61) ALDH1A1TSHRKDM4EMAPTPOLB
SCHEMBL18917684 0.85 VEGFA (0.59) ALDH1A1TSHRKDM4EMAPTKMT2A
SCHEMBL7947733 0.83 HRH3 (0.55) ALDH1A1KDM4EKMT2AMEN1RAB9A
SCHEMBL11093397 0.82 DRD2 (0.70) ALDH1A1TSHRKDM4EMAPTPOLB
SCHEMBL17028829 0.80 ALDH1A1 (0.50) ALDH1A1TSHRKDM4EMAPTPOLB
SCHEMBL17005858 0.77 VEGFA (0.61) ALDH1A1TSHRKDM4EMAPTPOLB
SCHEMBL20827031 0.76 TSHR (0.59) ALDH1A1TSHRKDM4EMAPTKMT2A
SCHEMBL17005904 0.76 VEGFA (0.62) ALDH1A1TSHRKDM4EMAPTKMT2A
SCHEMBL5958627 0.76 KCNH2 (0.84) ALDH1A1TSHRKDM4EMAPTKMT2A
SCHEMBL15277910 0.75 MGLL (0.58) ALDH1A1TSHRKDM4EMAPTKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000047-B1 1-(N-PHENYLAMINOALKYL)-PIPERAZINE DERIVATIVES SUBSTITUTED AT POSITION 2 OF THE PHENYL RING RECORDATI CHEM PHARM (CH) 2003-12-17 EP disclosed
US-6399614-B1 TREATING NEUROMUSCULAR DYSFUNCTION OF LOWER URINARY TRACT VIA PERIPHERAL OR CENTRAL NERVOUS SYSTEM; SEROTONIN RECEPTOR ANTAGONIST RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-04 US disclosed
US-6271234-B1 DERIVATIVES WHICH BIND TO SEROTONERGIC RECEPTORS; TREATING DISORDERS OF THE LOWER URINARY TRACT RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2001-08-07 US disclosed
US-6071920-A BIND TO 5HT 1A RECEPTORS FOR TREATING DISORDERS OF THE LOWER URINARY TRACT; CNS DISORDERS; ANXIOLYTIC AGENTS; ANTIDEPRESSANTS; HYPOTENSIVE AGENTS; SLEEP AND EATING DISORDERS RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2000-06-06 US disclosed
EP-1000047-A1 1-(N-PHENYLAMINOALKYL)-PIPERAZINE DERIVATIVES SUBSTITUTED AT POSITION 2 OF THE PHENYL RING RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 EP disclosed
EP-1000045-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 EP disclosed
WO-1999006382-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 WO disclosed
WO-1999006384-A1 1-(N-PHENYLAMINOALKYL)-PIPERAZINE DERIVATIVES SUBSTITUTED AT POSITION 2 OF THE PHENYL RING RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 WO disclosed