SCHEMBL807145

SCHEMBL807145

COc1ccc2c(c1)CN1Cc3cc(OC)ccc3OCC1CC2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.45
DRD3 P35462 7/20 0.45
MTNR1A P48039 3/20 0.43
DRD1 P21728 5/20 0.40
DRD5 P21918 5/20 0.40
DRD4 P21917 3/20 0.40
CYP19A1 P11511 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL14024212 0.89 MTNR1A (0.50) DRD2DRD3MTNR1ADRD1DRD5
SCHEMBL807163 0.83 MTNR1A (0.43) MTNR1A
SCHEMBL806673 0.83 MTNR1A (0.43) MTNR1A
SCHEMBL14023283 0.82 MTNR1A (0.47) MTNR1ACYP19A1
SCHEMBL14023282 0.78 MTNR1A (0.43) DRD2DRD3MTNR1ADRD1DRD5
SCHEMBL11261438 0.76 DRD1 (0.49) DRD2DRD3DRD1DRD5DRD4
SCHEMBL13595258 0.75 HTR2C (0.49) DRD2DRD3MTNR1ADRD1DRD5
Hydrochloric Acid SCHEMBL4412325 0.74 HTR2C (0.48) DRD2DRD3MTNR1ADRD1DRD5
SCHEMBL2370682 0.71 HRH3 (0.53) DRD2DRD3DRD1DRD5DRD4
SCHEMBL2917635 0.70 HRH3 (0.49) DRD2DRD3DRD1DRD5DRD4

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