SCHEMBL4792764

SCHEMBL4792764

O=C(c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1)C1CCCN1C1CCNC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 3/20 0.46
▸ ADAMTS4 O75173 1/20 0.46
▸ MMP12 P39900 1/20 0.46
▸ ADAMTS5 Q9UNA0 1/20 0.46
▸ CHRM1 P11229 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HRH3 Q9Y5N1 5/20 0.41
▸ PTAFR P25105 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4764592 0.88 HRH3 (0.54) HRH1CYP2D6HRH3PTAFR
SCHEMBL4889725 0.81 KCNH2 (0.42) HRH3PTAFRHTT
SCHEMBL4764354 0.80 POLB (0.41) MEN1KMT2AMAPTHTTL3MBTL1
SCHEMBL4793576 0.80 MEN1 (0.40) MEN1KMT2AMAPT
SCHEMBL4791508 0.79 LMNA (0.42) MEN1KMT2AHRH3PTAFRMAPT
SCHEMBL2879390 0.79 RECQL (0.42) CYP2C9CYP3A4CYP1A2MEN1KMT2A
SCHEMBL2884746 0.79 HRH3 (0.51) KMT2AHRH3
SCHEMBL4790935 0.78 DRD2 (0.42) KMT2AHRH3TP53
SCHEMBL4761940 0.77 HRH3 (0.42) HRH3PTAFR
SCHEMBL4790952 0.77 HRH3 (0.42) KMT2AHRH3PTAFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 — — EP claimed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 — — WO claimed
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 — — EP disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 — — WO disclosed
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