SCHEMBL14436009

SCHEMBL14436009

CC[C@@H](COc1cc(Cl)ccc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)N(C)C)CC1)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 2/20 0.43
▸ ADAMTS5 Q9UNA0 2/20 0.43
▸ PROKR1 Q8TCW9 4/20 0.42
▸ CCR1 P32246 7/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.35
▸ CYP51A1 Q16850 1/20 0.35

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
SCHEMBL14435996 1.00 ADAM17 (0.43) ADAM17ADAMTS5PROKR1CCR1GRM5
SCHEMBL14436420 0.90 AKT1 (0.44) ADAM17ADAMTS5PROKR1
SCHEMBL14435998 0.89 CCR1 (0.42) ADAM17ADAMTS5PROKR1CCR1TACR1
SCHEMBL14435999 0.88 ADAM17 (0.41) ADAM17ADAMTS5PROKR1CCR1MEN1
SCHEMBL14435995 0.88 ADAM17 (0.41) ADAM17ADAMTS5PROKR1CCR1MEN1
SCHEMBL12713177 0.85 CALCA (0.46) PROKR1CCR1CYP51A1
SCHEMBL14436006 0.84 ADAM17 (0.43) ADAM17ADAMTS5PROKR1CCR1GRM5
SCHEMBL14436008 0.84 ADAM17 (0.43) ADAM17ADAMTS5PROKR1CCR1GRM5
SCHEMBL14436428 0.83 ADAM17 (0.42) ADAM17ADAMTS5PROKR1
SCHEMBL14436010 0.81 ADAM17 (0.41) ADAM17ADAMTS5PROKR1CCR1MEN1

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
WO-2007096186-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-08-30 — — WO disclosed
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