SCHEMBL13961130

SCHEMBL13961130

Nc1ccc(NC(=O)CC2CCNCC2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.50
▸ CHRM1 P11229 9/20 0.48
▸ PIM1 P11309 1/20 0.44
▸ PIM2 Q9P1W9 1/20 0.44
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ FUCA1 P04066 1/20 0.41
▸ CHRM2 P08172 8/20 0.41
▸ CHRM3 P20309 8/20 0.41
▸ HDAC3 O15379 2/20 0.40
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL3634615 0.87 FUCA1 (0.54) CHRM1NPC1RAB9AFUCA1CHRM2
SCHEMBL24398303 0.84 CHRM1 (0.47) AAK1CHRM1PIM1PIM2NPC1
SCHEMBL13961132 0.77 CHRM1 (0.42) AAK1CHRM1PIM1PIM2NPC1
SCHEMBL18403938 0.72 HRH3 (0.41) —
SCHEMBL19000814 0.72 L3MBTL1 (0.61) NPC1RAB9A
Hydrochloric Acid SCHEMBL5776216 0.71 RAB9A (0.54) NPC1RAB9AFUCA1
SCHEMBL31417546 0.71 KMT2A (0.55) CHRM1NPC1RAB9A
SCHEMBL13931009 0.69 FUCA1 (0.55) NPC1RAB9AFUCA1
SCHEMBL20577768 0.69 MAPT (0.46) HDAC1NPC1RAB9ACA1CA2
SCHEMBL29923548 0.69 EPHX2 (0.71) CHRM1NPC1RAB9A

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-2009010477-A1 PIPERIDINE-4-ACETIC ACID DERIVATIVES AND THEIR USE EUROSCREEN S.A. (BE) 2009-01-22 — — WO disclosed
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