SCHEMBL4722265

SCHEMBL4722265

Cc1cc(CC(N)C(=O)N2CCC(N3CCCCC3)CC2)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.47
CHRM1 P11229 1/20 0.47
ALOX15 P16050 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
LRRK2 Q5S007 1/20 0.46
CALCA P06881 10/20 0.46
L3MBTL3 Q96JM7 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MBTD1 Q05BQ5 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL3314682 0.91 OPRK1 (0.42) DPP8CHRM1L3MBTL3L3MBTL1OPRK1
SCHEMBL3279496 0.90 DPP8 (0.49) DPP8CHRM1ALOX15CYP2D6CYP2C19
SCHEMBL4722468 0.88 AKT1 (0.43) CHRM1L3MBTL3L3MBTL1OPRK1
SCHEMBL3314171 0.87 DPP8 (0.47) DPP8CHRM1ALOX15CALCAL3MBTL3
SCHEMBL4717751 0.85 MC4R (0.43) CALCAOPRK1
SCHEMBL4720817 0.83 DPP8 (0.43) DPP8CHRM1ALOX15CYP3A4CALCA
SCHEMBL3279033 0.83 DPP8 (0.48) DPP8CHRM1ALOX15CYP2D6CYP2C19
SCHEMBL29496558 0.81 CHRM1 (0.56) DPP8CHRM1ALOX15L3MBTL3L3MBTL1
SCHEMBL3285190 0.81 OPRK1 (0.44) DPP8CHRM1L3MBTL3L3MBTL1OPRK1
SCHEMBL7012362 0.79 DPP8 (0.47) DPP8CHRM1ALOX15CYP3A4CALCA

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
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP claimed