SCHEMBL8990913

SCHEMBL8990913

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
HDAC1 Q13547 1/20 0.35
LMNA P02545 1/20 0.35
TACR1 P25103 2/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
THRB P10828 1/20 0.35
FPR2 P25090 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL8991003 0.91 GHSR (0.51) GHSROPRM1HDAC1TACR1AGTR1
SCHEMBL8990865 0.90 GHSR (0.44) GHSRALDH1A1KMT2AHDAC1LMNA
SCHEMBL8990828 0.90 GHSR (0.44) GHSRSMN1; SMN2KMT2AOPRM1HDAC1
SCHEMBL8991034 0.88 GHSR (0.60) GHSROPRM1OPRK1OPRL1TACR1
SCHEMBL8990883 0.85 SMN1; SMN2 (0.35) GHSRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8990911 0.84 SMN1; SMN2 (0.35) GHSRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8991044 0.83 GHSR (0.60) GHSROPRM1OPRK1OPRL1TACR1
SCHEMBL8990897 0.83 GHSR (0.47) GHSROPRM1HDAC1TACR1AGTR1
SCHEMBL8990958 0.82 GHSR (0.61) GHSROPRM1OPRK1OPRL1TACR1
SCHEMBL8991104 0.82 GHSR (0.38) GHSROPRM1OPRK1OPRL1TACR1

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