SCHEMBL7733773

SCHEMBL7733773

COc1ccccc1NCCCl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.62
ALDH1A1 P00352 6/20 0.46
MAPT P10636 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL4878523 0.89 CHRM2 (0.68) CHRM2ALDH1A1MAPTNPC1RAB9A
SCHEMBL1644001 0.82 CHRM2 (0.64) CHRM2ALDH1A1MAPTNPC1RAB9A
SCHEMBL881553 0.81 CHRM2 (0.62) CHRM2ALDH1A1MAPTNPC1RAB9A
SCHEMBL5800488 0.81 CHRM2 (0.62) CHRM2ALDH1A1MAPTNPC1RAB9A
SCHEMBL7771127 0.81 CHRM2 (0.62) CHRM2ALDH1A1MAPTNPC1RAB9A
SCHEMBL3073595 0.81 CHRM2 (0.62) CHRM2ALDH1A1MAPTNPC1RAB9A
SCHEMBL4168734 0.81 CHRM2 (0.62) CHRM2ALDH1A1MAPTNPC1RAB9A
SCHEMBL10632588 0.79 CHRM2 (0.59) CHRM2ALDH1A1MAPTNPC1RAB9A
SCHEMBL12162852 0.79 CHRM2 (0.65) CHRM2ALDH1A1MAPTNPC1RAB9A
SCHEMBL6173269 0.79 CHRM2 (0.70) CHRM2ALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101759665-B Substituent phenylpiperazine aryl alkanol derivant and application thereof in preparing analgesics NHWA PHARMACEUTICAL GROUP CO LTD 2012-03-28 CN disclosed
CN-101759665-A Substituent phenylpiperazine aryl alkanol derivant and application thereof in preparing analgesics NHWA PHARMACEUTICAL GROUP CO L 2010-06-30 CN disclosed
US-6399614-B1 TREATING NEUROMUSCULAR DYSFUNCTION OF LOWER URINARY TRACT VIA PERIPHERAL OR CENTRAL NERVOUS SYSTEM; SEROTONIN RECEPTOR ANTAGONIST RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-04 US disclosed