SCHEMBL30169705

SCHEMBL30169705

Cc1cc(Br)ccc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
HTR2C P28335 4/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
OPRL1 P41146 4/20 0.38
KDM1A O60341 3/20 0.36
KDM1B Q8NB78 1/20 0.36
SLC6A4 P31645 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 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
SCHEMBL16954130 1.00 NOTUM (0.41) NOTUMHTR2CALDH1A1MAPK1OPRL1
SCHEMBL31223122 0.87 HTR2C (0.58) HTR2CSLC6A4
SCHEMBL31222914 0.87 OPRL1 (0.43) NOTUMHTR2CALDH1A1MAPK1OPRL1
SCHEMBL28506474 0.85 QDPR (0.40) OPRL1HTT
SCHEMBL23857836 0.83 HTR2C (0.38) HTR2CALDH1A1MAPK1SLC6A4HPGD
SCHEMBL29186352 0.81 OPRL1 (0.42) OPRL1
SCHEMBL30767882 0.81 OPRL1 (0.42) OPRL1
SCHEMBL10925090 0.80 SLC6A4 (0.31) ALDH1A1MAPK1KDM1AKDM1BSLC6A4
SCHEMBL16905177 0.79 PTGDR (0.40) HTR2CMAPK1KDM1AKDM1BSLC6A4
SCHEMBL15822058 0.79 MEN1 (0.36) NOTUMMAPK1KDM1AKDM1BSLC6A4

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-4126825-A1 AMINOCYCLOBUTANES AS MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2023-02-08 EP disclosed