SCHEMBL14436005

SCHEMBL14436005

CC[C@@H](CN1CCCC1)Oc1cc(Cl)ccc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 5/20 0.42
▸ CYP51A1 Q16850 4/20 0.40
▸ ADAM17 P78536 2/20 0.39
▸ ADAMTS5 Q9UNA0 2/20 0.39
▸ CALCA P06881 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ UGCG Q16739 3/20 0.37
▸ PROKR1 Q8TCW9 1/20 0.36
▸ PYGL P06737 1/20 0.36
▸ PYGM P11217 1/20 0.36
▸ AKT1 P31749 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
SCHEMBL14435994 1.00 CCR1 (0.42) CCR1CYP51A1ADAM17ADAMTS5CALCA
SCHEMBL14436003 0.88 CCR1 (0.43) CCR1CYP51A1ADAM17ADAMTS5CALCA
SCHEMBL14435997 0.88 CCR1 (0.43) CCR1CYP51A1ADAM17ADAMTS5CALCA
SCHEMBL14436010 0.87 ADAM17 (0.41) CCR1ADAM17ADAMTS5PROKR1AKT1
SCHEMBL14435262 0.84 HRH2 (0.43) CCR1CYP51A1ADAM17ADAMTS5CALCA
SCHEMBL14436002 0.83 CCR1 (0.43) CCR1CYP51A1CALCACYP3A4UGCG
SCHEMBL14435993 0.83 CCR1 (0.43) CCR1CYP51A1CALCACYP3A4UGCG
SCHEMBL14436001 0.82 CCR1 (0.42) CCR1CYP51A1ADAM17ADAMTS5CALCA
SCHEMBL14435607 0.82 CCR1 (0.42) CCR1CYP51A1ADAM17ADAMTS5CALCA
SCHEMBL12713182 0.82 CALCA (0.46) CCR1CYP51A1CALCAALDH1A1CYP3A4

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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