SCHEMBL14180948

SCHEMBL14180948

O=c1n(CC(OCC(OCC(O)C(F)(F)F)C(F)(F)F)C(F)(F)F)nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)cnn12

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.49
▸ AVPR2 P30518 14/20 0.37
▸ AVPR1A P37288 14/20 0.37
▸ GPR119 Q8TDV5 2/20 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
SCHEMBL14180947 0.98 CNR1 (0.50) CNR1AVPR2AVPR1AGPR119
SCHEMBL14180944 0.87 CNR1 (0.56) CNR1AVPR2AVPR1A
SCHEMBL14180939 0.78 CNR1 (0.47) CNR1GPR119
SCHEMBL14180943 0.78 CNR1 (0.52) CNR1GPR119
SCHEMBL14180961 0.78 CNR1 (0.48) CNR1GPR119
SCHEMBL14180963 0.78 CNR1 (0.48) CNR1GPR119
SCHEMBL14180951 0.77 CNR1 (0.48) CNR1GPR119
SCHEMBL4805929 0.76 CNR1 (0.47) CNR1GPR119
SCHEMBL14180959 0.76 CNR1 (0.50) CNR1GPR119
SCHEMBL14180759 0.76 CNR1 (0.53) CNR1GPR119

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-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 — — US disclosed
US-7378418-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 — — US disclosed
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