SCHEMBL9871633

SCHEMBL9871633

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.44
TRHDE Q9UKU6 1/20 0.44
KDM4C Q9H3R0 2/20 0.42
KDM5A P29375 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
LTA4H P09960 1/20 0.42
LAP3 P28838 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TRHR P34981 1/20 0.40
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
SLC15A1 P46059 1/20 0.39
IDO1 P14902 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 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
SCHEMBL6069460 0.88 CDK5 (0.47) CPB2TRHDEKDM4CKDM5AKDM5B
SCHEMBL6527840 0.88 CDK5 (0.47) CPB2TRHDEKDM4CKDM5AKDM5B
Hydrochloric Acid SCHEMBL7356305 0.87 CDK5 (0.46) CPB2TRHDEKDM4CKDM5AKDM5B
Hydrochloric Acid SCHEMBL6527838 0.87 CDK5 (0.46) CPB2TRHDEKDM4CKDM5AKDM5B
Hydrochloric Acid SCHEMBL6527843 0.87 CDK5 (0.46) CPB2TRHDEKDM4CKDM5AKDM5B
Hydrochloric Acid SCHEMBL5997862 0.87 CDK5 (0.46) CPB2TRHDEKDM4CKDM5AKDM5B
SCHEMBL289025 0.86 ALPI (0.53) CPB2TRHDEKDM4CKDM5AKDM5B
SCHEMBL4956555 0.86 ALPI (0.53) CPB2TRHDEKDM4CKDM5AKDM5B
SCHEMBL41832 0.86 ALPI (0.53) CPB2TRHDEKDM4CKDM5AKDM5B
SCHEMBL5717571 0.85 CPB2 (0.47) CPB2TRHDEKDM4CKDM5AKDM5B

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