SCHEMBL8685705

SCHEMBL8685705

COC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cc(OC)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.53
DRD3 P35462 2/20 0.53
SIGMAR1 Q99720 4/20 0.52
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
POLB P06746 1/20 0.46
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 1/20 0.45
MAPK1 P28482 1/20 0.45
PRNP P04156 1/20 0.45
DRD4 P21917 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
SCHEMBL8685708 1.00 DRD2 (0.53) DRD2DRD3SIGMAR1ALDH1A1KMT2A
SCHEMBL8687561 0.91 DRD2 (0.53) DRD2DRD3SIGMAR1ALDH1A1KMT2A
SCHEMBL8687558 0.91 DRD2 (0.53) DRD2DRD3SIGMAR1ALDH1A1KMT2A
SCHEMBL8314205 0.91 DRD2 (0.55) DRD2DRD3SIGMAR1ALDH1A1KMT2A
SCHEMBL8314202 0.91 DRD2 (0.55) DRD2DRD3SIGMAR1ALDH1A1KMT2A
SCHEMBL8685136 0.90 S1PR1 (0.47) DRD2DRD3SIGMAR1ALDH1A1KMT2A
SCHEMBL8685134 0.90 S1PR1 (0.47) DRD2DRD3SIGMAR1ALDH1A1KMT2A
SCHEMBL8687919 0.89 DRD2 (0.52) DRD2DRD3SIGMAR1ALDH1A1POLB
SCHEMBL8687918 0.89 DRD2 (0.52) DRD2DRD3SIGMAR1ALDH1A1POLB
SCHEMBL8686279 0.89 MEN1 (0.52) DRD2DRD3SIGMAR1ALDH1A1KMT2A

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-5723484-A Benzopyran compounds as 5-HT2C receptor antagonists ADIR ET COMPAGNIE (FR) 1998-03-03 US disclosed
US-5663191-A PSYCHIATRIC DISEASES, ANXIETY AND ANTIDEPRESSANTS ADIR ET COMPAGNIE (FR) 1997-09-02 US disclosed