SCHEMBL7779663

SCHEMBL7779663

COc1cccc2c1CCC(CBr)=C2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.39
DRD3 P35462 5/20 0.39
DRD4 P21917 4/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
TSHR P16473 1/20 0.39
HTR5A P47898 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL27431998 0.87 ALDH1A1 (0.37) DRD2DRD3DRD4MEN1CYP1A2
SCHEMBL7777402 0.83 NOTUM (0.38) DRD2DRD3DRD4MEN1CYP1A2
SCHEMBL9162578 0.81 SLC6A2 (0.38) HTR1ATSHRKMT2A
SCHEMBL5784077 0.77 ALDH1A1 (0.40) DRD2DRD3DRD4CHRM2CHRM1
SCHEMBL6825674 0.76 CYP19A1 (0.47) MEN1KMT2AALDH1A1
SCHEMBL9047485 0.75 ALDH1A1 (0.41) DRD2DRD3DRD4CHRM2CHRM1
SCHEMBL30715537 0.74 ALDH1A1 (0.40) DRD2DRD3DRD4TSHRCHRM2
SCHEMBL6825510 0.73 ADRA2A (0.35) DRD2DRD3DRD4MEN1CYP1A2
Hydrochloric Acid SCHEMBL7166477 0.72 ADRA2A (0.34) DRD2DRD3DRD4ALDH1A1CYP3A4
SCHEMBL22558013 0.71 PTGS2 (0.45) DRD2DRD3ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749424-B1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-12 EP disclosed
US-5863918-A HYPOTENSIVE AGENTS, ANTICOAGULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-26 US disclosed
US-5763489-A ANTICOAGULANTS AND HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
WO-1995024393-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-14 WO disclosed