SCHEMBL4590225

SCHEMBL4590225

CC(C)(CN)NC(=O)CN1CCN(CCCCCOc2ccc3c(c2)nnn3-c2ccc(Cl)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.40
HRH3 Q9Y5N1 10/20 0.40
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4590224 0.88 KCNA5 (0.40) KCNA5HRH3HPGDL3MBTL1MEN1
SCHEMBL4589930 0.87 FGFR1 (0.49) KCNA5HRH3
SCHEMBL4590576 0.86 AVPR1B (0.45) KCNA5HRH3MEN1KMT2A
SCHEMBL4590221 0.83 KCNA5 (0.40) KCNA5HRH3HPGDL3MBTL1MEN1
SCHEMBL4590572 0.83 HRH3 (0.44) HRH3HPGDL3MBTL1MEN1KMT2A
SCHEMBL4590555 0.83 KCNA5 (0.41) KCNA5HRH3MEN1KMT2A
SCHEMBL4590727 0.81 HRH3 (0.42) HRH3HPGDL3MBTL1MEN1KMT2A
SCHEMBL4588830 0.81 FGFR1 (0.43) KCNA5HRH3
SCHEMBL4591346 0.79 HRH3 (0.42) HRH3MEN1KMT2AKDM4EPOLB
SCHEMBL4590774 0.78 HRH3 (0.45) HRH3DRD2

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
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 claimed
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