SCHEMBL8990911

SCHEMBL8990911

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccc(F)cc3C[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TACR1 P25103 2/20 0.32
LMNA P02545 1/20 0.32
GHSR Q92847 2/20 0.32
AGTR1 P30556 1/20 0.32
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
FPR1 P21462 2/20 0.31
FPR2 P25090 2/20 0.31
OPRM1 P35372 3/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
SRC P12931 1/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL8990883 0.94 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1MEN1GAAKMT2A
SCHEMBL8991035 0.93 MME (0.36) TACR1GHSRAGTR1OPRM1OPRD1
SCHEMBL8990843 0.91 GHSR (0.32) TACR1GHSRAGTR1OPRM1OPRD1
SCHEMBL8991080 0.91 FPR2 (0.35) SMN1; SMN2ALDH1A1KMT2ALMNAGHSR
SCHEMBL8990894 0.87 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1MEN1GAAKMT2A
SCHEMBL8991127 0.86 MME (0.36) TACR1GHSRAGTR1OPRM1OPRD1
SCHEMBL8990862 0.85 GHSR (0.45) TACR1GHSRAGTR1FNTAFNTB
SCHEMBL8991037 0.85 GHSR (0.44) TACR1GHSRAGTR1FNTAFNTB
SCHEMBL8991077 0.85 FPR1 (0.36) SMN1; SMN2ALDH1A1KMT2ALMNAGHSR
SCHEMBL8991030 0.85 GHSR (0.38) TACR1GHSRAGTR1FNTAFNTB

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
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed