SCHEMBL806673

SCHEMBL806673

COc1ccc2c(c1)CN1CCC[C@H]1CO2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
KDM2B Q8NHM5 6/20 0.43
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
JUN P05412 1/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 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
SCHEMBL807163 1.00 MTNR1A (0.43) MTNR1AKDM2BNPC1TDP1JUN
SCHEMBL14024212 0.87 MTNR1A (0.50) MTNR1ANPC1TDP1
SCHEMBL14023282 0.84 MTNR1A (0.43) MTNR1AKDM2B
SCHEMBL14023259 0.84 HCRTR2 (0.36) MEN1KMT2A
SCHEMBL14024215 0.84 HCRTR2 (0.36) MEN1KMT2A
SCHEMBL807145 0.83 DRD2 (0.45) MTNR1A
SCHEMBL13595258 0.81 HTR2C (0.49) MTNR1A
Hydrochloric Acid SCHEMBL4412325 0.80 HTR2C (0.48) MTNR1A
SCHEMBL14023283 0.80 MTNR1A (0.47) MTNR1ANPC1TDP1
SCHEMBL3351077 0.80 CHRNB4 (0.44) NPC1

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-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-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-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 WO disclosed