SCHEMBL14436003

SCHEMBL14436003

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 5/20 0.43
▸ CYP51A1 Q16850 4/20 0.41
▸ ADAM17 P78536 2/20 0.40
▸ ADAMTS5 Q9UNA0 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ UGCG Q16739 3/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ PYGL P06737 1/20 0.37
▸ PYGM P11217 1/20 0.37
▸ CALCA P06881 1/20 0.36
▸ 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
SCHEMBL14435997 1.00 CCR1 (0.43) CCR1CYP51A1ADAM17ADAMTS5ALDH1A1
SCHEMBL12713182 0.90 CALCA (0.46) CCR1CYP51A1ALDH1A1CYP3A4UGCG
SCHEMBL14436005 0.88 CCR1 (0.42) CCR1CYP51A1ADAM17ADAMTS5ALDH1A1
SCHEMBL14435994 0.88 CCR1 (0.42) CCR1CYP51A1ADAM17ADAMTS5ALDH1A1
SCHEMBL14435628 0.88 KMT2A (0.46) CCR1CYP51A1ALDH1A1CYP3A4UGCG
SCHEMBL14435596 0.88 AKT1 (0.43) ADAM17ADAMTS5
SCHEMBL14436006 0.88 ADAM17 (0.43) CCR1CYP51A1ADAM17ADAMTS5ALDH1A1
SCHEMBL14436008 0.88 ADAM17 (0.43) CCR1CYP51A1ADAM17ADAMTS5ALDH1A1
SCHEMBL14435998 0.84 CCR1 (0.42) CCR1CYP51A1ADAM17ADAMTS5ALDH1A1
SCHEMBL14435607 0.80 CCR1 (0.42) CCR1CYP51A1ADAM17ADAMTS5ALDH1A1

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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