SCHEMBL9850899

SCHEMBL9850899

c1nc(CCCC2CCCCC2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.40
CYP1A2 P05177 1/20 0.37
HRH3 Q9Y5N1 5/20 0.37
CEL P19835 1/20 0.37
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
DAO P14920 1/20 0.34

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
SCHEMBL7625072 0.94 GPR84 (0.42) HRH4CYP1A2HRH3CELSIGMAR1
SCHEMBL8524329 0.90 HRH4 (0.41) HRH4HRH3CELLMNATSHR
SCHEMBL7971225 0.90 HRH3 (0.40) HRH4HRH3
SCHEMBL7976777 0.88 HRH3 (0.38) HRH4HRH3
SCHEMBL7977147 0.86 HRH4 (0.38) HRH4HRH3
SCHEMBL15139142 0.85 HRH3 (0.51) HRH4HRH3
SCHEMBL7618097 0.85 HRH4 (0.33) HRH4CYP1A2HRH3LMNATSHR
SCHEMBL8115341 0.84 HRH4 (0.34) HRH4CYP1A2HRH3
Bromide SCHEMBL15130221 0.84 HRH3 (0.50) HRH4HRH3
SCHEMBL4384996 0.82 HRH4 (0.32) HRH4HRH3

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
EP-0447188-A2 7-Oxabicycloheptane imidazole prostaglandin analogs useful in the treatment of thrombotic and vasospastic diseases E.R. SQUIBB & SONS, INC. (US) 1991-09-18 EP disclosed
EP-0403090-A1 7-oxabicycloheptane imidazole prostaglandin analogs useful in the treatment of thrombotic and vasopastic disease E.R. SQUIBB & SONS, INC. (US) 1990-12-19 EP disclosed
US-4977174-A Anticoagulants, antischemic agents E. R. SQUIBB & SONS, INC. (US) 1990-12-11 US disclosed