SCHEMBL4590774

SCHEMBL4590774

CN(C)CCN1CCN(CCCCCOc2ccc3c(c2)nnn3-c2ccc(Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.45
SLC6A4 P31645 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL4590221 0.87 KCNA5 (0.40) HRH3
SCHEMBL4590572 0.87 HRH3 (0.44) HRH3
SCHEMBL4591346 0.84 HRH3 (0.42) HRH3
SCHEMBL4590727 0.84 HRH3 (0.42) HRH3
SCHEMBL4590050 0.84 FGFR1 (0.60) HRH3FGFR1SRC
SCHEMBL4590576 0.81 AVPR1B (0.45) HRH3
SCHEMBL4591158 0.79 HRH3 (0.46) HRH3SLC6A4HTR1ADRD2DRD1
SCHEMBL4590224 0.78 KCNA5 (0.40) HRH3DRD2
SCHEMBL4590225 0.78 KCNA5 (0.40) HRH3DRD2
SCHEMBL4590678 0.77 HRH3 (0.35) HRH3FGFR1SRC

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
WO-2008107322-A1 INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE DERIVATIVES INCLUDING A PIPERIDINE OR PIPERAZINE CORE AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed