SCHEMBL14436008

SCHEMBL14436008

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 2/20 0.43
▸ ADAMTS5 Q9UNA0 2/20 0.43
▸ CCR1 P32246 7/20 0.38
▸ PROKR1 Q8TCW9 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GRM5 P41594 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.35
▸ CYP51A1 Q16850 1/20 0.35
▸ AKT1 P31749 1/20 0.34

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
SCHEMBL14436006 1.00 ADAM17 (0.43) ADAM17ADAMTS5CCR1PROKR1MEN1
SCHEMBL14436010 0.90 ADAM17 (0.41) ADAM17ADAMTS5CCR1PROKR1MEN1
SCHEMBL14435596 0.90 AKT1 (0.43) ADAM17ADAMTS5AKT1
SCHEMBL14435997 0.88 CCR1 (0.43) ADAM17ADAMTS5CCR1ALDH1A1CYP51A1
SCHEMBL14436003 0.88 CCR1 (0.43) ADAM17ADAMTS5CCR1ALDH1A1CYP51A1
SCHEMBL12713182 0.84 CALCA (0.46) CCR1ALDH1A1CYP51A1
SCHEMBL14435996 0.84 ADAM17 (0.43) ADAM17ADAMTS5CCR1PROKR1MEN1
SCHEMBL14436009 0.84 ADAM17 (0.43) ADAM17ADAMTS5CCR1PROKR1MEN1
SCHEMBL14435628 0.83 KMT2A (0.46) CCR1KMT2AALDH1A1CYP51A1
SCHEMBL14435995 0.81 ADAM17 (0.41) ADAM17ADAMTS5CCR1PROKR1MEN1

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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