SCHEMBL11477757

SCHEMBL11477757

COc1ccc(C2C(CO)CCCN2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.48
FPR2 P25090 1/20 0.48
DRD2 P14416 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
SPHK2 Q9NRA0 1/20 0.40
CHRM3 P20309 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB3 Q05901 1/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM2B Q8NHM5 1/20 0.39

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
SCHEMBL11477217 0.91 DRD2 (0.46) FPR1FPR2DRD2GAASMN1; SMN2
SCHEMBL11478891 0.85 DRD2 (0.52) DRD2HRH3CHRNB4CHRNA3KDM2B
SCHEMBL7749615 0.82 CYP3A4 (0.38) CHRM3
SCHEMBL11488360 0.82 FPR1 (0.45) FPR1FPR2DRD2CHRNB2
SCHEMBL6659010 0.82 CYP3A4 (0.38) CHRM3
SCHEMBL11478746 0.82 CHRNB4 (0.46) CHRNB4CHRNA3SMN1; SMN2KDM2B
Hydrochloric Acid SCHEMBL11491667 0.81 KDM4E (0.38) CHRM3GAAKDM4E
SCHEMBL11480023 0.80 CHRNB4 (0.42) CHRNB4CHRNA3SMN1; SMN2
SCHEMBL29017331 0.78 SIGMAR1 (0.52) SPHK2
SCHEMBL11769008 0.78 HRH3 (0.46) HRH3SPHK2GAA

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-4219560-A ANTILIPEMIC AGENTS SANDOZ, INC. (US) 1980-08-26 US disclosed