SCHEMBL9730176

SCHEMBL9730176

Cc1cccc(CC(=O)N2CC3C(=O)CCC(c4ccccc4)(c4ccccc4)C3C2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.53
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.47
OPRD1 P41143 4/20 0.44
OPRK1 P41145 4/20 0.44
RECQL P46063 1/20 0.41
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
METAP2 P50579 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
HSD11B1 P28845 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL9730126 0.94 TACR1 (0.51) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9729849 0.90 TACR1 (0.58) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9730595 0.90 TACR1 (0.58) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9730167 0.88 MEN1 (0.51) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9729512 0.85 KMT2A (0.50) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9729490 0.84 TACR1 (0.48) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9730188 0.84 MAPT (0.48) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9730103 0.82 MAPT (0.56) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9729234 0.82 TACR1 (0.61) TACR1MEN1CYP3A4MAPTTSHR
SCHEMBL9729860 0.82 MEN1 (0.53) TACR1MEN1CYP3A4MAPTTSHR

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-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed