SCHEMBL14435262

SCHEMBL14435262

CN[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccc(Cl)cc2OCCN2CCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ CYP51A1 Q16850 2/20 0.41
▸ ADAM17 P78536 2/20 0.41
▸ ADAMTS5 Q9UNA0 2/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ HTR2A P28223 3/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ UGCG Q16739 1/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CALCA P06881 1/20 0.40
▸ PROKR1 Q8TCW9 1/20 0.40
▸ CCR1 P32246 1/20 0.40

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
SCHEMBL14435581 0.90 UGCG (0.42) ADAM17ADAMTS5CYP1A2CYP2D6CYP2C9
SCHEMBL14435971 0.88 HRH2 (0.48) HRH2HRH1CYP51A1CYP3A4UGCG
SCHEMBL14435974 0.87 AKT1 (0.46) HRH2HRH1ADAM17ADAMTS5
SCHEMBL14436428 0.86 ADAM17 (0.42) ADAM17ADAMTS5LTA4HHTR2ACYP1A2
SCHEMBL14435994 0.84 CCR1 (0.42) CYP51A1ADAM17ADAMTS5CYP3A4UGCG
SCHEMBL14436001 0.84 CCR1 (0.42) CYP51A1ADAM17ADAMTS5CYP3A4UGCG
SCHEMBL14436005 0.84 CCR1 (0.42) CYP51A1ADAM17ADAMTS5CYP3A4UGCG
SCHEMBL14435607 0.84 CCR1 (0.42) CYP51A1ADAM17ADAMTS5CYP3A4UGCG
SCHEMBL14431353 0.83 HRH2 (0.52) HRH2HRH1CYP51A1CYP3A4UGCG
SCHEMBL14435629 0.83 HRH2 (0.46) HRH2HRH1CYP51A1CALCA

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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