SCHEMBL8537007

SCHEMBL8537007

O=CNCc1[c]cccc1-c1cc(NC2=NCCN2)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.39
ADRA2A P08913 12/20 0.37
ADRA2B P18089 10/20 0.34
ADRA2C P18825 10/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ADRA1A P35348 3/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1B P35368 2/20 0.32
HTR7 P34969 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
SCHEMBL8536838 0.95 PTGIR (0.34) PTGIRADRA2A
SCHEMBL8539100 0.85 ADRA2A (0.39) PTGIRADRA2AADRA2BADRA2CADRA1A
SCHEMBL8537009 0.68 PTGIR (0.47) PTGIRADRA2AADRA2BADRA2CADRA1A
SCHEMBL8542414 0.67 PTGIR (0.39) PTGIRADRA2AADRA2BADRA2CLMNA
SCHEMBL8542532 0.67 TLR4 (0.36)
SCHEMBL8540200 0.63 ITGB3 (0.41)
SCHEMBL8542609 0.63 ITGB3 (0.41)
SCHEMBL8536842 0.62 PTGIR (0.41) PTGIRADRA2AADRA2BADRA2CADRA1A
SCHEMBL7373771 0.61 ITGB3 (0.47) PTGIRADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7844560 0.60 ITGB3 (0.47) PTGIRADRA2AADRA2BADRA2C

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