SCHEMBL20848319

SCHEMBL20848319

Clc1ccc(COc2ccc(C3CCCC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.59
MAOB P27338 5/20 0.56
APP P05067 1/20 0.56
FOXM1 Q08050 1/20 0.53
NR4A2 P43354 1/20 0.50
MAOA P21397 1/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
EGFR P00533 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD5 P21918 1/20 0.46
HTR2A P28223 1/20 0.46
DRD3 P35462 1/20 0.46
LTA4H P09960 2/20 0.46
KCNH2 Q12809 1/20 0.46
DHFR P00374 1/20 0.46

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
SCHEMBL19134705 0.93 MAOB (0.59) HRH3MAOBAPPFOXM1NR4A2
SCHEMBL17315647 0.84 APP (0.56) HRH3MAOBAPPNPC1ALDH1A1
SCHEMBL22139428 0.84 HRH3 (0.62) HRH3APPKCNH2
SCHEMBL24066731 0.83 HRH3 (0.57) HRH3APPFOXM1KCNH2
SCHEMBL22291713 0.83 HRH3 (0.61) HRH3APPNPC1RAB9AKCNH2
SCHEMBL24066732 0.83 HRH3 (0.57) HRH3APPFOXM1KCNH2
SCHEMBL21615694 0.82 HRH3 (0.60) HRH3MAOBAPPFOXM1NPC1
SCHEMBL5249481 0.82 HRH3 (0.60) HRH3MAOBFOXM1MAOAMAPT
SCHEMBL11053830 0.82 HRH3 (0.54) HRH3NPC1ALDH1A1RAB9AKCNH2
SCHEMBL23898437 0.81 HRH3 (0.55) HRH3APPNPC1RAB9ALTA4H

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-2486002-B1 SUBSTITUTED HETEROARYL- AND ARYL- CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE ORYZON GENOMICS SA (ES) 2019-03-27 EP disclosed