SCHEMBL4745334

SCHEMBL4745334

CC(C)NC(=O)CN1CCN(CCCCCOc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.47
AVPR1B P47901 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNA5 P22460 1/20 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
SCHEMBL4743111 0.90 HRH3 (0.56) HRH3MEN1KMT2AKCNA5HRH4
SCHEMBL4743288 0.90 HRH3 (0.56) HRH3MEN1KMT2AKCNA5HRH4
SCHEMBL4743293 0.89 MEN1 (0.56) HRH3MEN1KMT2AKCNA5HRH4
SCHEMBL4787613 0.87 HRH3 (0.42) HRH3AVPR1BMEN1KMT2AKCNA5
SCHEMBL4744692 0.86 KDM4E (0.51) HRH3AVPR1BMEN1KMT2AKCNA5
SCHEMBL4743291 0.86 HRH3 (0.48) HRH3AVPR1BMEN1KMT2AKCNA5
SCHEMBL4744714 0.85 AVPR1B (0.46) HRH3AVPR1BKCNA5HRH4
SCHEMBL4745366 0.85 HRH4 (0.53) HRH3AVPR1BMEN1KMT2AHRH4
SCHEMBL4745400 0.85 HTR1A (0.50) HRH3AVPR1BMEN1KMT2AKCNA5
SCHEMBL4746716 0.84 HRH3 (0.58) HRH3MEN1KMT2AKCNA5

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