SCHEMBL14436002

SCHEMBL14436002

CC[C@@H](Cc1cc(Cl)ccc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC)CC1)CN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 8/20 0.43
▸ CYP51A1 Q16850 6/20 0.41
▸ CALCA P06881 2/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ UGCG Q16739 3/20 0.38
▸ PYGL P06737 2/20 0.37
▸ PYGM P11217 1/20 0.37
▸ MC4R P32245 1/20 0.36

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 1.00 CCR1 (0.43) CCR1CYP51A1CALCACYP3A4UGCG
SCHEMBL14436000 0.90 CCR1 (0.42) CCR1CYP51A1CALCACYP3A4UGCG
SCHEMBL14435259 0.88 AKT1 (0.43) MC4R
SCHEMBL14435265 0.88 AKT1 (0.43) MC4R
SCHEMBL14435994 0.83 CCR1 (0.42) CCR1CYP51A1CALCACYP3A4UGCG
SCHEMBL14436005 0.83 CCR1 (0.42) CCR1CYP51A1CALCACYP3A4UGCG
SCHEMBL14435266 0.82 AKT1 (0.44) MC4R
SCHEMBL14435254 0.82 AKT1 (0.44) MC4R
SCHEMBL13002965 0.79 SMN1; SMN2 (0.44) —
SCHEMBL14435280 0.79 MC4R (0.41) MC4R

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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