SCHEMBL18642602

SCHEMBL18642602

NC1CC2CCC1(c1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.47
MAOA P21397 3/20 0.47
OPRL1 P41146 1/20 0.43
KDM4A O75164 3/20 0.41
KDM4B O94953 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
ALOX5AP P20292 1/20 0.38
KDM1A O60341 2/20 0.38

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
SCHEMBL27917474 0.77 MAOB (0.47) MAOBMAOAKDM4AKDM4BKDM4C
SCHEMBL790991 0.76 KDM1A (0.46) MAOBMAOAKDM4AKDM4BKDM4C
SCHEMBL14336784 0.73 OPRL1 (0.46) MAOBMAOAOPRL1KDM4AKDM4B
SCHEMBL17552306 0.72 MAOB (0.44) MAOBMAOAOPRL1KDM4AKDM4B
SCHEMBL10388101 0.72 KDM4A (0.42) MAOBMAOAOPRL1KDM4AKDM4B
SCHEMBL28313136 0.70 MAOB (0.42) MAOBMAOAGRIN2DGRIN3BGRIN1
Vinyl Ether SCHEMBL15348796 0.68 KDM4A (0.35) KDM4AKDM4BKDM4CALOX5AP
SCHEMBL10389478 0.68 DPP4 (0.41) OPRL1KDM4AKDM4BKDM4C
SCHEMBL6053771 0.67 GRIN2D (0.50) MAOBMAOAGRIN2DGRIN3BGRIN1
SCHEMBL4640563 0.67 KDM1A (0.43) OPRL1KDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3349853-A1 PRODRUGS OF FENCAMFAMINE Praxis Bioresearch, LLC (US) 2018-07-25 EP disclosed
WO-2017048720-A1 PRODRUGS OF FENCAMFAMINE PRAXIS BIOSCIENCES, LLC (US) 2017-03-23 WO disclosed