SCHEMBL21369965

SCHEMBL21369965

CC1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2snc(-c3ccccc3)c2C#N)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.61
S1PR3 Q99500 14/20 0.61
CYP3A4 P08684 1/20 0.52
CYP2C8 P10632 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL1811170 0.91 S1PR1 (0.75) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1810753 0.78 S1PR1 (0.44) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL21369766 0.77 S1PR1 (0.82) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1804192 0.76 S1PR1 (1.00) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1809948 0.73 S1PR1 (1.00) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL21369993 0.70 S1PR1 (0.87) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL21369979 0.70 S1PR1 (0.54) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1814888 0.68 S1PR1 (1.00) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL1812999 0.67 S1PR1 (1.00) S1PR1S1PR3CYP3A4CYP2C8KCNH2
SCHEMBL21369767 0.67 S1PR1 (0.79) S1PR1S1PR3CYP3A4CYP2C8KCNH2

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
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed