SCHEMBL7779516

SCHEMBL7779516

COc1ccc2c(c1)C(=O)C[C@H](CN1CCC(c3ccccc3)CC1)CC2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.61
SIGMAR1 Q99720 2/20 0.58
HTR1A P08908 1/20 0.58
HTR2A P28223 5/20 0.50
HTR2C P28335 4/20 0.50
DRD2 P14416 4/20 0.50
MCHR1 Q99705 1/20 0.46
APP P05067 1/20 0.45
CCR5 P51681 1/20 0.45
OPRL1 P41146 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL6489714 1.00 HTR7 (0.61) HTR7SIGMAR1HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL6491271 0.99 HTR7 (0.60) HTR7SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL6491129 0.87 SIGMAR1 (0.74) HTR7SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL6499369 0.84 HTR7 (0.54) HTR7SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL6491393 0.83 HTR7 (0.71) HTR7SIGMAR1HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL6493410 0.83 HTR7 (0.53) HTR7SIGMAR1HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL6491157 0.82 HTR7 (0.69) HTR7SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL6076000 0.80 HTR7 (0.68) HTR7SIGMAR1HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL6490470 0.79 HTR7 (0.67) HTR7SIGMAR1HTR1AHTR2AHTR2C
SCHEMBL6492403 0.78 OPRL1 (0.57) HTR7SIGMAR1HTR1ADRD2CCR5

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
EP-1129072-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-05 EP disclosed
WO-2000027815-A2 N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS SMITHKLINE BEECHAM SPA (IT) 2000-05-18 WO disclosed