SCHEMBL4743291

SCHEMBL4743291

CC(C)NC(=O)CN1CCN(CCCCCOc2ccc(C(=O)c3ccc(Cl)cc3Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.48
HRH4 Q9H3N8 1/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
AVPR1B P47901 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNA5 P22460 1/20 0.46
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL4743288 0.90 HRH3 (0.56) HRH3HRH4MEN1KMT2AKCNA5
SCHEMBL4743111 0.90 HRH3 (0.56) HRH3HRH4MEN1KMT2AKCNA5
SCHEMBL4744692 0.89 KDM4E (0.51) HRH3HRH4HTR1ADRD2HTR2A
SCHEMBL4743293 0.89 MEN1 (0.56) HRH3HRH4DRD2MEN1KMT2A
SCHEMBL4745400 0.88 HTR1A (0.50) HRH3HTR1ADRD2HTR2AAVPR1B
SCHEMBL4745334 0.86 HRH3 (0.47) HRH3HRH4AVPR1BMEN1KMT2A
SCHEMBL4745366 0.86 HRH4 (0.53) HRH3HRH4HTR1ADRD2HTR2A
SCHEMBL4746716 0.84 HRH3 (0.58) HRH3MEN1KMT2AKCNA5
SCHEMBL4744719 0.83 HRH3 (0.53) HRH3DRD2MEN1KMT2AKCNA5
SCHEMBL4746230 0.83 HRH3 (0.53) HRH3DRD2MEN1KMT2AKCNA5

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-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO claimed
WO-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed