SCHEMBL4746674

SCHEMBL4746674

CC(C)NC(=O)CN1CCN(CCCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 3/20 0.46
HRH3 Q9Y5N1 11/20 0.46
HRH1 P35367 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNA5 P22460 1/20 0.41

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 0.88 HRH3 (0.56) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL4743288 0.88 HRH3 (0.56) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL4743293 0.86 MEN1 (0.56) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL4744714 0.84 AVPR1B (0.46) AVPR1BHRH3HRH1HRH4KCNA5
SCHEMBL4743109 0.82 HRH3 (0.46) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL4745334 0.82 HRH3 (0.47) AVPR1BHRH3HRH4MEN1KMT2A
SCHEMBL4743105 0.81 AVPR1B (0.44) AVPR1BHRH3PSEN1PSEN2APH1B
SCHEMBL4744692 0.80 KDM4E (0.51) AVPR1BHRH3HRH4MEN1KMT2A
SCHEMBL4745396 0.80 HRH3 (0.46) AVPR1BHRH3MEN1KMT2AKCNA5
SCHEMBL4746716 0.79 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