SCHEMBL14436000

SCHEMBL14436000

CN[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccc(Cl)cc2CC(C)CN2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 6/20 0.42
▸ CYP51A1 Q16850 4/20 0.42
▸ CALCA P06881 1/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ UGCG Q16739 3/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38
▸ MC4R P32245 2/20 0.38
▸ PYGL P06737 1/20 0.38
▸ PYGM P11217 1/20 0.38
▸ TSHR P16473 1/20 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
SCHEMBL14435993 0.90 CCR1 (0.43) CCR1CYP51A1CALCACYP3A4UGCG
SCHEMBL14436002 0.90 CCR1 (0.43) CCR1CYP51A1CALCACYP3A4UGCG
SCHEMBL14435994 0.81 CCR1 (0.42) CCR1CYP51A1CALCACYP3A4UGCG
SCHEMBL14436005 0.81 CCR1 (0.42) CCR1CYP51A1CALCACYP3A4UGCG
SCHEMBL12713202 0.81 CALCA (0.48) CALCACYP3A4UGCGMC4R
SCHEMBL14435262 0.80 HRH2 (0.43) CCR1CYP51A1CALCACYP3A4UGCG
SCHEMBL12713199 0.78 SMN1; SMN2 (0.45) —
SCHEMBL14435265 0.77 AKT1 (0.43) MC4R
SCHEMBL14435259 0.77 AKT1 (0.43) MC4R
SCHEMBL14436414 0.77 UGCG (0.43) CCR1CYP51A1CALCACYP3A4UGCG

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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