SCHEMBL8964029

SCHEMBL8964029

Cc1[nH]c(-c2ccccc2)nc1N1CCN(Cc2ccccc2)C(C)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
GSK3B P49841 1/20 0.43
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.40
HRH2 P25021 1/20 0.38
NPY5R Q15761 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
HPGDS O60760 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL8963753 0.82 ADRA2A (0.43) DRD4DRD2DRD3MAPTNPY5R
SCHEMBL25154269 0.73 DRD4 (0.53) DRD4GSK3BMAPTHRH2
SCHEMBL15936456 0.72 SMO (0.63) MAPK1MAPT
SCHEMBL15936392 0.70 SMO (0.65) MAPK1MAPT
SCHEMBL8964019 0.68 DRD2 (0.71) DRD4DRD2DRD3USP2TP53
SCHEMBL27979641 0.68 MAPT (0.68) MAPTHRH2
SCHEMBL6741206 0.68 MAPT (0.68) MAPTHRH2
SCHEMBL4048121 0.68 MAPT (0.68) MAPTHRH2
SCHEMBL20284487 0.67 HRH2 (0.66) MAPTHRH2
SCHEMBL14528083 0.67 HRH2 (0.66) MAPTHRH2

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
US-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed