SCHEMBL8990883

SCHEMBL8990883

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

nearest known ligand 0.46

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 1/20 0.33
LMNA P02545 1/20 0.33
GHSR Q92847 2/20 0.32
AGTR1 P30556 1/20 0.32
MME P08473 1/20 0.32
FPR1 P21462 2/20 0.32
FPR2 P25090 2/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
SRC P12931 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
SCHEMBL8990911 0.94 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1MEN1GAAKMT2A
SCHEMBL8991127 0.93 MME (0.36) TACR1GHSRAGTR1MMEOPRM1
SCHEMBL8991077 0.91 FPR1 (0.36) SMN1; SMN2ALDH1A1KMT2ALMNAGHSR
SCHEMBL8991016 0.90 GHSR (0.44) TACR1GHSRAGTR1FNTAFNTB
SCHEMBL8990719 0.87 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1MEN1GAAKMT2A
SCHEMBL8991035 0.86 MME (0.36) TACR1GHSRAGTR1MMEOPRM1
SCHEMBL8990916 0.86 GHSR (0.39) TACR1GHSRAGTR1MMEOPRM1
SCHEMBL8990921 0.85 GHSR (0.46) TACR1GHSRAGTR1FNTAFNTB
SCHEMBL8991008 0.85 GHSR (0.44) TACR1GHSRAGTR1FNTAFNTB
SCHEMBL8990843 0.85 GHSR (0.32) TACR1GHSRAGTR1OPRM1

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