SCHEMBL18199577

SCHEMBL18199577

COc1ccc(CC(C)N2CCN(C(=O)C(C)(c3ccccc3)C3CCCC3)CC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 12/20 0.79
▸ NPY2R P49146 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 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
SCHEMBL20202494 0.89 CHRM3 (1.00) CHRM3
SCHEMBL18199576 0.81 CHRM3 (0.77) CHRM3ALDH1A1MAPTMEN1KMT2A
SCHEMBL18199761 0.71 CHRM3 (1.00) CHRM3
SCHEMBL20202495 0.69 CHRM3 (1.00) CHRM3
SCHEMBL1996647 0.69 CHRM3 (0.69) CHRM3
SCHEMBL1996643 0.69 CHRM3 (0.69) CHRM3
SCHEMBL22899741 0.67 CHRM3 (0.42) CHRM3
SCHEMBL18199762 0.67 CHRM3 (1.00) CHRM3
SCHEMBL2655676 0.66 CHRM3 (0.64) CHRM3ALDH1A1
SCHEMBL4208886 0.66 CHRM3 (0.64) CHRM3ALDH1A1

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-2016173817-A1 N-ARALKYLCARBONYL-PIPERAZINE AND -HOMOPIPERAZINE COMPOUNDS AND PERSONAL CARE COMPOSITIONS COMPRISING THE SAME UNILEVER PLC (GB) 2016-11-03 — — WO disclosed
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