SCHEMBL9871376

SCHEMBL9871376

CC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.53
TRHDE Q9UKU6 1/20 0.47
MAPT P10636 3/20 0.43
S1PR1 P21453 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TRHR P34981 1/20 0.42
ACE P12821 1/20 0.42
MBTPS1 Q14703 1/20 0.41
POLB P06746 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL5358340 0.87 MAPT (0.46) TACR1TRHDEMAPTACEPOLB
SCHEMBL31035995 0.83 TRHDE (0.52) TACR1TRHDE
SCHEMBL9871633 0.81 CPB2 (0.44) TRHDEMAPTTRHRCDK5CDK5R1
SCHEMBL868827 0.80 TRHDE (0.48) TRHDETRHRPOLBCDK5CDK5R1
SCHEMBL14864806 0.80 TRHDE (0.48) TRHDETRHRPOLBCDK5CDK5R1
SCHEMBL13984143 0.80 TRHDE (0.50) TRHDETRHRCDK5CDK5R1
SCHEMBL13197411 0.79 TRHDE (0.49) TRHDEMEN1KMT2ATRHRCDK5
SCHEMBL755381 0.79 TRHDE (0.54) TRHDETRHRACECDK5CDK5R1
SCHEMBL30621980 0.78 TACR1 (0.80) TACR1MAPTS1PR1ACEMBTPS1
SCHEMBL19508750 0.78 KLK5 (0.51) TRHDEACE

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
US-5025027-A For stimulation of the parasympathetic system and treatment of glaucoma; improved duration REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-06-18 US disclosed
WO-1990010000-A1 CYCLIC CARBAMATE ANALOGUES OF (+)-PILOCARPINE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-09-07 WO disclosed