SCHEMBL29313846

SCHEMBL29313846

CN1CCC2=C(C1)N(C)C(C)(C)N2C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
CYP2C19 P33261 2/20 0.34
DRD1 P21728 2/20 0.32
DRD3 P35462 2/20 0.32
SLC6A4 P31645 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
NOS1 P29475 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL16582548 0.59 KDM4E (0.35)
SCHEMBL17090680 0.59 CYP2C19 (0.53) MAOAMAOBCYP2C19DRD1DRD3
SCHEMBL2071122 0.59
SCHEMBL8342687 0.59 MAOA (0.44) MAOAMAOBCYP2C19DRD1DRD3
SCHEMBL24134346 0.57
SCHEMBL10284651 0.57
SCHEMBL18278112 0.57
SCHEMBL419378 0.57
SCHEMBL17624446 0.57 MAOA (0.42) MAOAMAOBCYP2C19DRD1DRD3
SCHEMBL3662894 0.57

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-3893872-B1 ORGANOPHOSPHORUS-SUBSTITUTED COMPOUNDS AS C-MET INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA INC (US) 2024-07-17 EP disclosed