SCHEMBL6957074

SCHEMBL6957074

COc1cccc2c1CCC(Br)C2=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
ACHE P22303 1/20 0.58
CYP19A1 P11511 3/20 0.55
DRD2 P14416 4/20 0.44
DRD3 P35462 3/20 0.44
DRD4 P21917 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL5275161 0.83 ACHE (0.73) MAPTKDM4ELMNAPOLBACHE
SCHEMBL7665918 0.80 LMNA (0.49) MAPTKDM4ELMNAPOLBACHE
Hydrochloric Acid SCHEMBL7272487 0.80 KDM4E (0.58) MAPTKDM4ELMNAPOLBACHE
SCHEMBL7517153 0.80 MAPT (0.58) MAPTKDM4ELMNAPOLBACHE
SCHEMBL15700133 0.79 CYP19A1 (0.67) MAPTKDM4ELMNAPOLBACHE
SCHEMBL9361537 0.78 MAPT (0.59) MAPTKDM4ELMNAPOLBACHE
SCHEMBL7772416 0.78 KDM4E (0.62) MAPTKDM4ELMNAPOLBACHE
SCHEMBL7526340 0.77 DDB1 (0.44) MAPTKDM4ELMNAPOLBCYP19A1
SCHEMBL5761402 0.77 PARP10 (0.49) MAPTKDM4ELMNAPOLBACHE
SCHEMBL7777529 0.77 MAPT (0.64) MAPTKDM4ELMNAPOLBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4265613-A1 BENZENE RING COMPOUND AND USE THEREOF Nanjing Shijiang Medicine Technology Co., Ltd (CN) 2023-10-25 EP disclosed
WO-2010021149-A1 SPIRO COMPOUND CAPABLE OF INHIBITING ACID SECRETION 武田薬品工業株式会社 (JP) 2010-02-25 WO disclosed
EP-0851862-B1 1(HETERO)ARYL-4-(CONDENSED THIAZOL-2-YLALKYL)-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF 5-HT1A-RECEPTOR MEDIATED DISORDERS PHARMACIA ITALIA SPA (IT) 2003-09-10 EP disclosed
US-5834499-A TREATING GASTROINTESTINAL DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
EP-0851862-A1 1(HETERO)ARYL-4-(CONDENSED THIAZOL-2-YLALKYL)-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF 5-HT1A-RECEPTOR MEDIATED DISORDERS Pharmacia Italia S.p.A. (IT) 1998-07-08 EP disclosed
WO-1997008159-A1 1(HETERO)ARYL-4-(CONDENSED THIAZOL-2-YLALKYL)-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF 5-HT1A-RECEPTOR MEDIATED DISORDERS PHARMACIA & UPJOHN S.P.A. (IT) 1997-03-06 WO disclosed
EP-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 EP disclosed
US-5565479-A IMIDAZOLYL FUSED THIAZOLES ANTISEROTONINE AGENT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-10-15 US disclosed
EP-0666263-A1 NOVEL CONDENSED THIAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-08-09 EP disclosed
US-3954983-A CENTRAL NERVOUS SYSTEM ANTIDEPRESSANTS RICHARDSON-MERRELL INC. (US) 1976-05-04 US disclosed