SCHEMBL4744692

SCHEMBL4744692

Cc1cc(OCCCCCN2CCN(CC(=O)NC(C)C)CC2)ccc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AVPR1B P47901 3/20 0.48
KCNA5 P22460 1/20 0.48
HRH3 Q9Y5N1 10/20 0.48
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 2/20 0.46
HRH4 Q9H3N8 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
SCHEMBL4745400 0.91 HTR1A (0.50) AVPR1BKCNA5HRH3HTR1ADRD2
SCHEMBL4743288 0.90 HRH3 (0.56) KCNA5HRH3MEN1KMT2AHRH4
SCHEMBL4743111 0.90 HRH3 (0.56) KCNA5HRH3MEN1KMT2AHRH4
SCHEMBL4743291 0.89 HRH3 (0.48) AVPR1BKCNA5HRH3HTR1ADRD2
SCHEMBL4743293 0.89 MEN1 (0.56) KDM4EKCNA5HRH3DRD2MEN1
SCHEMBL4745334 0.86 HRH3 (0.47) AVPR1BKCNA5HRH3MEN1KMT2A
SCHEMBL4744714 0.86 AVPR1B (0.46) KDM4EPOLBSMN1; SMN2AVPR1BKCNA5
SCHEMBL4743259 0.86 AVPR1B (0.43) KDM4EPOLBSMN1; SMN2AVPR1BKCNA5
SCHEMBL4746716 0.84 HRH3 (0.58) KCNA5HRH3MEN1KMT2A
SCHEMBL4743105 0.83 AVPR1B (0.44) AVPR1BKCNA5HRH3HTR1AHTR2A

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