SCHEMBL807150

SCHEMBL807150

c1ccc(CN2CCOc3ccc(-c4ccncc4)cc3C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 4/20 0.59
GPR142 Q7Z601 14/20 0.56
CYP2D6 P10635 2/20 0.48
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45

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
SCHEMBL807306 0.84 CYP2D6 (0.53) PTGER2CYP2D6
SCHEMBL807149 0.80 PTGER2 (0.48) PTGER2CYP2D6
SCHEMBL3276408 0.79 CYP2D6 (0.51) PTGER2CYP2D6
SCHEMBL2110350 0.79 PTGER2 (0.49) PTGER2CYP2D6
SCHEMBL15358763 0.78 CYP2D6 (0.60) PTGER2CYP2D6
SCHEMBL6436620 0.78 CYP2D6 (0.51) CYP2D6
SCHEMBL14023200 0.76 ALDH1A1 (0.53) PTGER2CYP2D6
SCHEMBL4788136 0.76 DRD2 (0.51) PTGER2CYP2D6
SCHEMBL807310 0.76 CYP2D6 (0.48) PTGER2CYP2D6
SCHEMBL807032 0.76 CYP2D6 (0.53) PTGER2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037105-A1 METHODS OF TREATING, AMELIORATING OR PREVENTING STRESS-INDUCED NEURONAL DISORDERS AND DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-03-22 WO disclosed
WO-2012019071-A1 METHODS OF PREVENTING AND TREATING SARCOPENIA THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-02-09 WO disclosed
WO-2012019076-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING CARDIAC ISCHEMIA/REPERFUSION INJURY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-02-09 WO disclosed
WO-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 WO disclosed