SCHEMBL8692841

SCHEMBL8692841

CCCn1nc(Cc2ccc(Br)cc2)c(C(=O)OC)c1CC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90B1 P14625 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
FPR1 P21462 2/20 0.34
FPR2 P25090 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8693926 0.93 HRH1 (0.35) HRH1
SCHEMBL8696229 0.91 TP53 (0.36) RAB9ANPC1SMN1; SMN2NPSR1TP53
SCHEMBL8693539 0.87 FPR1 (0.37) HRH1RAB9ANPC1SMN1; SMN2NPSR1
SCHEMBL8690276 0.84 TP53 (0.35) TP53MAPT
SCHEMBL8695154 0.82 FPR1 (0.41) FPR1FPR2
SCHEMBL8690998 0.81 CNR2 (0.38) HRH1FPR1FPR2
SCHEMBL8693020 0.80 ALDH1A1 (0.47) SMN1; SMN2MAPT
SCHEMBL8691277 0.80 ALDH1A1 (0.47) SMN1; SMN2MAPT
SCHEMBL8694583 0.80 LMNA (0.39) RAB9ASMN1; SMN2HSP90AA1HSP90B1FPR1
SCHEMBL8694977 0.80 NPC1 (0.34) RAB9ANPC1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed