SCHEMBL5239331

SCHEMBL5239331

CCCNC1COc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
TP53 P04637 4/20 0.47
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
DRD4 P21917 2/20 0.46
POLB P06746 2/20 0.44
ESR2 Q92731 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL5239324 1.00 SIGMAR1 (0.49) SIGMAR1TP53DRD2DRD3DRD4
SCHEMBL8390072 1.00 SIGMAR1 (0.49) SIGMAR1TP53DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL5760880 0.98 SIGMAR1 (0.48) SIGMAR1TP53DRD2DRD3DRD4
SCHEMBL22543461 0.84 TP53 (0.47) TP53POLBMAPTLMNA
SCHEMBL6932136 0.82 SIGMAR1 (0.42) SIGMAR1DRD2DRD3DRD4POLB
SCHEMBL4101018 0.80 DRD2 (0.59) DRD2DRD3DRD4ESR2
SCHEMBL1792787 0.79 GRIN2B (0.61) SIGMAR1DRD2DRD3DRD4
SCHEMBL8394387 0.78 MALT1 (0.46) SIGMAR1TP53POLBMAPTLMNA
SCHEMBL8394386 0.78 MALT1 (0.46) SIGMAR1TP53POLBMAPTLMNA
SCHEMBL8394389 0.78 MALT1 (0.46) SIGMAR1TP53POLBMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819690-A2 CHROMAN COMPOUNDS Pfizer Limited (GB) 2007-08-22 EP disclosed
WO-2006056850-A2 CHROMAN COMPOUNDS PFIZER LIMITED (GB) 2006-06-01 WO disclosed
US-6008219-A Bicyclic amine derivatives and their use as anti-psychotic agents SMITHKLINE BEECH P.L.C. (GB) 1999-12-28 US disclosed
EP-0510068-B1 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS UPJOHN CO (US) 1999-04-14 EP disclosed
US-5650427-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1997-07-22 US disclosed
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP disclosed
WO-1996030333-A1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-10-03 WO disclosed
US-5461061-A Antidepressants WIKSTROM HAKAN V (NL) 1995-10-24 US disclosed
EP-0385658-B1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes LILLY CO ELI (US) 1994-12-28 EP disclosed
US-5288748-A Antidepressants THE UPJOHN COMPANY (US) 1994-02-22 US disclosed
EP-0510068-A1 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS PHARMACIA & UPJOHN COMPANY (US) 1992-10-28 EP disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP disclosed
WO-1991011435-A2 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS THE UPJOHN COMPANY (US) 1991-08-08 WO disclosed
EP-0385658-A1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes ELI LILLY AND COMPANY (US) 1990-09-05 EP disclosed