SCHEMBL14435998

SCHEMBL14435998

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 5/20 0.42
▸ PROKR1 Q8TCW9 4/20 0.40
▸ CYP51A1 Q16850 3/20 0.40
▸ ADAM17 P78536 2/20 0.40
▸ ADAMTS5 Q9UNA0 2/20 0.40
▸ TACR1 P25103 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ UGCG Q16739 2/20 0.38

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
SCHEMBL12713177 0.90 CALCA (0.46) CCR1PROKR1CYP51A1ALDH1A1
SCHEMBL14436009 0.89 ADAM17 (0.43) CCR1PROKR1CYP51A1ADAM17ADAMTS5
SCHEMBL14435996 0.89 ADAM17 (0.43) CCR1PROKR1CYP51A1ADAM17ADAMTS5
SCHEMBL14436420 0.88 AKT1 (0.44) PROKR1ADAM17ADAMTS5
SCHEMBL14435607 0.86 CCR1 (0.42) CCR1PROKR1CYP51A1ADAM17ADAMTS5
SCHEMBL14436001 0.86 CCR1 (0.42) CCR1PROKR1CYP51A1ADAM17ADAMTS5
SCHEMBL14436003 0.84 CCR1 (0.43) CCR1CYP51A1ADAM17ADAMTS5TACR1
SCHEMBL14435997 0.84 CCR1 (0.43) CCR1CYP51A1ADAM17ADAMTS5TACR1
SCHEMBL14435262 0.81 HRH2 (0.43) CCR1PROKR1CYP51A1ADAM17ADAMTS5
SCHEMBL12713343 0.80 CALCA (0.44) CCR1PROKR1

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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