SCHEMBL7708466

SCHEMBL7708466

CN1CCN(c2nc(Cl)ncc2Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
HRH4 Q9H3N8 13/20 0.53
HRH1 P35367 1/20 0.53
MAPT P10636 1/20 0.48
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR6 P50406 1/20 0.45
HTR3E A5X5Y0 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43

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
SCHEMBL7714255 0.88 SMN1; SMN2 (0.53) SMN1; SMN2HRH4HRH1MAPTHTR3B
SCHEMBL7708441 0.85 TSHR (0.57) SMN1; SMN2HRH4HRH1MAPTHTR3A
SCHEMBL7712401 0.84 HPGD (0.50) MAPT
SCHEMBL7714603 0.84 HRH4 (0.57) HRH4HRH1HTR6
SCHEMBL7716622 0.82 MAPT (0.43) HRH4MAPTHTR6
SCHEMBL7714106 0.82 HRH4 (0.51) SMN1; SMN2HRH4HRH1MAPTHTR3B
SCHEMBL7712449 0.77 HTR6 (0.56) HRH4HTR6
SCHEMBL1491746 0.74 SMN1; SMN2 (0.71) SMN1; SMN2HRH4MAPTHTR3BHTR3A
SCHEMBL7708590 0.73 MAPT (0.47) SMN1; SMN2MAPT
SCHEMBL7714282 0.73 HRH4 (0.56) HRH4HTR6

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-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 US disclosed