SCHEMBL8685136

SCHEMBL8685136

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

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.47
S1PR5 Q9H228 2/20 0.47
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47
SIGMAR1 Q99720 3/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
DPP4 P27487 1/20 0.45
MAPK1 P28482 1/20 0.45
DRD4 P21917 1/20 0.45
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8685134 1.00 S1PR1 (0.47) S1PR1S1PR5KCNH2MCHR1SIGMAR1
SCHEMBL8685048 0.92 DPP4 (0.47) S1PR1S1PR5KCNH2MCHR1SIGMAR1
SCHEMBL8685043 0.92 DPP4 (0.47) S1PR1S1PR5KCNH2MCHR1SIGMAR1
SCHEMBL8317646 0.91 S1PR5 (0.51) S1PR1S1PR5KCNH2MCHR1SIGMAR1
SCHEMBL8317632 0.91 S1PR5 (0.51) S1PR1S1PR5KCNH2MCHR1SIGMAR1
SCHEMBL8685705 0.90 DRD2 (0.53) KCNH2MCHR1SIGMAR1DRD2DRD3
SCHEMBL8685708 0.90 DRD2 (0.53) KCNH2MCHR1SIGMAR1DRD2DRD3
SCHEMBL8687919 0.88 DRD2 (0.52) SIGMAR1DRD2DRD3DRD4POLB
SCHEMBL8687918 0.88 DRD2 (0.52) SIGMAR1DRD2DRD3DRD4POLB
SCHEMBL23239708 0.88 S1PR1 (0.47) S1PR1S1PR5KCNH2SIGMAR1DRD2

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 1 patent. 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