SCHEMBL8536838

SCHEMBL8536838

O=CNCc1[c]cccc1-c1cc(NC2=NCCCN2)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.34
ADRA2A P08913 1/20 0.32
ITGB3 P05106 2/20 0.31
ITGAV P06756 2/20 0.31
ITGA2B P08514 2/20 0.31
ITGB1 P05556 1/20 0.31
ITGB5 P18084 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
SCHEMBL8537007 0.95 PTGIR (0.39) PTGIRADRA2A
SCHEMBL8538800 0.86 ITGB3 (0.39) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8539100 0.80 ADRA2A (0.39) PTGIRADRA2AITGB3ITGAV
SCHEMBL8540200 0.69 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8536842 0.69 PTGIR (0.41) PTGIRADRA2AITGB3ITGAVITGA2B
SCHEMBL8542609 0.68 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8542532 0.65 TLR4 (0.36)
SCHEMBL8431443 0.64 ITGB3 (0.38) PTGIRITGB3ITGAVITGA2BITGB1
SCHEMBL8542414 0.63 PTGIR (0.39) PTGIRADRA2AITGB3ITGAVITGA2B
SCHEMBL8537009 0.62 PTGIR (0.47) PTGIRADRA2A

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-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed