SCHEMBL8564511

SCHEMBL8564511

C=CCN1CCC(N2C(=O)Nc3ccncc3C2c2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.36
PRCP P42785 1/20 0.35
OPRD1 P41143 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD2 P14416 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
P2RX7 Q99572 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
OPRL1 P41146 1/20 0.33
TNKS O95271 5/20 0.33
TNKS2 Q9H2K2 2/20 0.33
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL8571710 0.87 PRCP (0.42) PRCPDRD2SIGMAR1LMNAGAA
SCHEMBL8565038 0.87 CHRM3 (0.47) CCR5CHRM2CHRM3SIGMAR1P2RX7
SCHEMBL8562015 0.81 TNKS (0.36) SIGMAR1TNKSTNKS2TP53BRD4
SCHEMBL8573043 0.80 SIGMAR1 (0.43) CCR5OPRD1CHRM2CHRM3SIGMAR1
SCHEMBL8570094 0.77 CHRM3 (0.51) CHRM2CHRM3DRD2SIGMAR1P2RX7
SCHEMBL8565096 0.77 CCR5 (0.48) CCR5CHRM2CHRM3SIGMAR1OPRL1
SCHEMBL8570739 0.76 CHRM2 (0.54) CCR5OPRD1CHRM2CHRM3SIGMAR1
SCHEMBL6168102 0.74 CHRM3 (0.42) CCR5OPRD1CHRM3DRD2OPRL1
SCHEMBL6168606 0.73 OPRL1 (0.52) CCR5CHRM2CHRM3DRD2OPRL1
SCHEMBL8564971 0.73 TACR1 (0.43) PRCPDRD2OPRL1

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