SCHEMBL17028535

SCHEMBL17028535

Cc1cccc(C2(Br)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.48
HDAC4 P56524 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR2C P28335 2/20 0.42
HTR2A P28223 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRND Q07001 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
SCHEMBL27173081 0.76 KDM1A (0.50) ACHEHTR2CHTR2AOPRM1OPRD1
SCHEMBL11971724 0.76 ACHE (0.46) ACHEHDAC4HTR2CHTR2A
SCHEMBL27352126 0.76 OPRM1 (0.59) ACHEHDAC4HTR2CHTR2AOPRM1
SCHEMBL25839802 0.76 ACHE (0.46) ACHEHDAC4ALDH1A1MAPK1HTR2C
SCHEMBL23672531 0.74 ACHE (0.44) ACHEHDAC4ALDH1A1MAPK1HTR2C
SCHEMBL8765620 0.74 HSD11B1 (0.55) ACHEHDAC4ALDH1A1HTR2CHTR2A
Hydrochloric Acid SCHEMBL31486432 0.74 HTR2C (0.47) ACHEHTR2CHTR2A
SCHEMBL27786345 0.73 ACHE (0.42) ACHEALDH1A1MAPK1OPRM1OPRD1
SCHEMBL17208258 0.72 OPRM1 (0.56) ACHEHDAC4ALDH1A1HTR2CHTR2A
SCHEMBL16870100 0.72 OPRM1 (0.49) ACHEHDAC4HTR2CHTR2AOPRM1

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 4 patents. 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
WO-2021191391-A1 AMINOCYCLOBUTANES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 WO disclosed
EP-3107901-A1 COMPOUNDS FOR USE AS GPR120 AGONISTS Piramal Enterprises Limited (IN) 2016-12-28 EP disclosed
WO-2015125085-A1 COMPOUNDS FOR USE AS GPR120 AGONISTS Piramal Enterprises Limited (IN) 2015-08-27 WO disclosed