SCHEMBL8571012

SCHEMBL8571012

O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(CCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.49
CHRM3 P20309 2/20 0.49
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
ACHE P22303 1/20 0.45
MAPT P10636 1/20 0.44
CCR3 P51677 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 1/20 0.43
KCNH2 Q12809 1/20 0.43
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRL1 P41146 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
SCHEMBL6168606 0.90 OPRL1 (0.52) CHRM2CHRM3DRD2DRD4ACHE
SCHEMBL29445321 0.90 OPRL1 (0.52) CHRM2CHRM3DRD2DRD4ACHE
SCHEMBL8567952 0.87 SLC18A3 (0.49) ACHESIGMAR1OPRL1
SCHEMBL8570369 0.85 CHRM3 (0.50) CHRM2CHRM3DRD2DRD4ACHE
SCHEMBL8564971 0.85 TACR1 (0.43) DRD2DRD4MEN1KMT2AOPRL1
SCHEMBL8568996 0.84 KDM1A (0.49) CHRM2CHRM3DRD2KCNH2MEN1
SCHEMBL6168102 0.84 CHRM3 (0.42) CHRM3DRD2DRD4ACHEOPRL1
SCHEMBL8569508 0.83 MEN1 (0.53) CHRM2CHRM3DRD2DRD4ACHE
SCHEMBL6168165 0.83 CHRM3 (0.49) CHRM2CHRM3DRD2DRD4ACHE
SCHEMBL8564042 0.83 CHRM2 (0.43) CHRM2CHRM3MEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626373-B1 Quinazolinone derivatives SUMITOMO PHARMA (JP) 1998-12-23 EP disclosed
US-5556860-A ANTIISCHEMIC AGENTS, BRAIN DISORDERS AND BLOOD METAL CONCENTRATIONS AND KIDNEY DISEASE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1996-09-17 US disclosed
EP-0626373-A1 Quinazolinone derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-30 EP disclosed