SCHEMBL7794534

SCHEMBL7794534

COc1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
LMNA P02545 3/20 0.63
HTT P42858 2/20 0.63
POLB P06746 1/20 0.63
TSHR P16473 1/20 0.63
HSD17B10 Q99714 1/20 0.63
SIGMAR1 Q99720 4/20 0.58
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
OPRL1 P41146 1/20 0.52
CCR1 P32246 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 3/20 0.51
DRD2 P14416 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL5537771 0.82 CCR3 (0.50) MEN1KMT2ASIGMAR1OPRM1OPRD1
SCHEMBL28432321 0.81 MAPT (0.64) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL13716755 0.81 CCR3 (0.49) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL9052266 0.77 MEN1 (0.58) ALDH1A1MEN1KMT2APOLBSIGMAR1
SCHEMBL1103890 0.77 OPRM1 (0.61) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL28299186 0.76 OPRM1 (0.58) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL21078139 0.75 OPRM1 (0.60) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL9676257 0.75 SIGMAR1 (1.00) SIGMAR1
SCHEMBL23384021 0.74 OPRM1 (0.67) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL19226368 0.74 OPRM1 (0.58) ALDH1A1MEN1KMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150963-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2001-11-07 EP disclosed
WO-2000046214-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-10 WO disclosed