SCHEMBL16099752

SCHEMBL16099752

CCN(CC)CCn1c2cnccc2c2c(C)cc(OC)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 2/20 0.47
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
STAT6 P42226 1/20 0.39
HIF1A Q16665 1/20 0.39
DYRK1A Q13627 4/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
GABRA1 P14867 1/20 0.37
GABRA5 P31644 1/20 0.37
EGFR P00533 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 1/20 0.36
CNR2 P34972 1/20 0.36
MLNR O43193 1/20 0.35

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
SCHEMBL16099514 0.89 DYRK1A (0.49) HASPINMAOAMAOBCYP1A2CYP2D6
SCHEMBL16098887 0.82 HASPIN (0.66) HASPINMAOAMAOBCYP1A2CYP2D6
SCHEMBL16093779 0.81 HASPIN (0.71) HASPINMAOAMAOBCYP1A2CYP2D6
SCHEMBL16099754 0.78 HASPIN (0.45) HASPINMAOAMAOBCYP1A2TP53
SCHEMBL16098606 0.78 HASPIN (0.42) HASPINMAOAMAOBCYP1A2CYP2D6
SCHEMBL16100006 0.78 ADORA3 (0.41) HASPINMAOAMAOBCYP1A2CYP2D6
SCHEMBL16099021 0.76 HASPIN (0.47) HASPINMAOAMAOBCYP1A2CYP2D6
SCHEMBL16098427 0.76 HASPIN (0.43) HASPINMAOAMAOBCYP1A2CYP2D6
SCHEMBL16099097 0.74 HASPIN (0.45) HASPINMAOAMAOBCYP1A2CYP2D6
SCHEMBL16098699 0.72 ADORA3 (0.44) HASPINCYP2D6DYRK1AHTR2AHTR2C

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-2968284-A2 ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH Osteoqc Inc. (CA) 2016-01-20 EP disclosed
WO-2014153203-A2 ALKYL-AMINE HARMINE DERIVATIVES FOR PROMOTING BONE GROWTH OSSIFI INC. (US) 2014-09-25 WO disclosed