SCHEMBL4741231

SCHEMBL4741231

CCN(c1cc[c]c(C)c1)C(C)C#N

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.34
IGLV6-57 P01721 1/20 0.31

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
SCHEMBL11633652 0.82 S1PR1 (0.30) S1PR1
SCHEMBL8764340 0.79 IGLV6-57 (0.33) S1PR1IGLV6-57
SCHEMBL8394632 0.76 TP53 (0.45) S1PR1
SCHEMBL6675337 0.73 MAPT (0.41) S1PR1
SCHEMBL9653953 0.72
SCHEMBL10938518 0.71 S1PR1 (0.39) S1PR1IGLV6-57
SCHEMBL8765455 0.71 IGLV6-57 (0.33) IGLV6-57
SCHEMBL1637760 0.70 S100B (0.47) IGLV6-57
SCHEMBL8850073 0.70 GRIA2 (0.38)
SCHEMBL8849983 0.69 BCHE (0.32)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO claimed
US-4101540-A USEFUL FOR DYEING ACRYLONITRILE POLYMERS OR ACID-MODIFIED POLYESTERS OR POLYAMIDES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-07-18 US claimed
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed