SCHEMBL4170563

SCHEMBL4170563

O=C(c1ccc(-n2cnc3cc(F)ccc32)cc1)[N+]1(C2CCNC2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 3/20 0.42
▸ THRB P10828 1/20 0.41
▸ MGLL Q99685 3/20 0.40
▸ FGFR1 P11362 3/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL4155158 0.84 HPGD (0.43) HPGDALDH1A1MAPTTP53FGFR1
SCHEMBL3844239 0.80 NPC1 (0.36) RAB9A
SCHEMBL4793844 0.73 HRH3 (0.39) ALDH1A1RAB9A
SCHEMBL20603947 0.71 FGFR1 (0.67) HPGDTHRBFGFR1GSK3BRAB9A
SCHEMBL4762113 0.71 CDK9 (0.43) ALDH1A1
SCHEMBL4172886 0.70 HPGD (0.44) HPGDALDH1A1MAPTTP53THRB
SCHEMBL4167425 0.69 ESR1 (0.47) —
SCHEMBL121454 0.67 FGFR1 (0.76) HPGDALDH1A1THRBMGLLFGFR1
SCHEMBL1812407 0.67 MGLL (0.57) HPGDALDH1A1MGLL
SCHEMBL4792135 0.67 HDAC6 (0.40) ALDH1A1

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
EP-2074088-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-07-01 — — EP disclosed
WO-2008045371-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-04-17 — — WO disclosed
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