SCHEMBL4958525

SCHEMBL4958525

COc1cc(CN2CCC(N(c3nc4cccnc4s3)N3CCC(Nc4nc5cccnc5s4)CC3)CC2)c(OC)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 14/20 0.65
CXCR3 P49682 1/20 0.37
RORC P51449 1/20 0.36
DHODH Q02127 1/20 0.36
EHMT2 Q96KQ7 3/20 0.36
EZH2 Q15910 1/20 0.36

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
SCHEMBL3571029 0.90 SSTR5 (0.78) SSTR5CXCR3RORCDHODHEHMT2
SCHEMBL4955154 0.86 SSTR5 (0.58) SSTR5RORCDHODH
SCHEMBL4958519 0.83 SSTR5 (0.54) SSTR5RORCDHODHEHMT2
SCHEMBL4955178 0.82 SSTR5 (0.81) SSTR5
SCHEMBL4952476 0.81 SSTR5 (0.72) SSTR5
SCHEMBL4954442 0.81 SSTR5 (0.57) SSTR5CXCR3
SCHEMBL4955761 0.81 SSTR5 (0.69) SSTR5
SCHEMBL3571056 0.79 SSTR5 (1.00) SSTR5CXCR3EZH2
SCHEMBL4958309 0.78 SSTR5 (0.67) SSTR5
SCHEMBL3572094 0.75 SSTR5 (0.70) SSTR5RORCDHODH

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-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed