SCHEMBL20037360

SCHEMBL20037360

NCC1(Cc2ccc(F)cc2)CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
SLC6A3 Q01959 5/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MAOB P27338 1/20 0.34
HTR2C P28335 2/20 0.34
AKT2 P31751 2/20 0.34
GSK3B P49841 2/20 0.34
HTR1A P08908 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
IDO1 P14902 1/20 0.33
AGXT P21549 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL15611245 0.84 SLC6A3 (0.46) LOXL2OPRM1OPRL1SLC6A3SLC6A4
SCHEMBL3356351 0.83 ATM (0.42) SLC6A3SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL19368539 0.83 ABAT (0.41) OPRL1SLC6A2TAAR1AKT2GSK3B
SCHEMBL13540017 0.83 CYP1A2 (0.38) OPRM1SLC6A2SLC6A4KCNH2TAAR1
SCHEMBL1002871 0.83 AKT2 (0.47) SLC6A3SLC6A4TAAR1MAOBHTR2C
SCHEMBL23083579 0.82 MAOA (0.47) LOXL2OPRM1OPRL1SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL4875338 0.81 AKT2 (0.46) SLC6A3SLC6A4TAAR1MAOBHTR2C
Hydrochloric Acid SCHEMBL1003304 0.81 AKT2 (0.46) SLC6A3SLC6A4TAAR1MAOBHTR2C
Hydrochloric Acid SCHEMBL23070913 0.81 MAOA (0.46) OPRM1OPRL1SLC6A3SLC6A2SLC6A4
SCHEMBL28787375 0.79 SLC6A2 (0.37) SLC6A3SLC6A2SLC6A4CYP2D6KCNH2

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-3105219-B1 CYCLOPROPYLAMINES AS LSD1 INHIBITORS INCYTE CORP (US) 2018-04-11 EP disclosed