SCHEMBL11787113

SCHEMBL11787113

CC1(C)CC(c2ccncc2)c2c(O)cc(CCCCCc3ccc(F)cc3)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 10/20 0.38
▸ CNR2 P34972 9/20 0.38
▸ OPRM1 P35372 3/20 0.38
▸ KDR P35968 3/20 0.37
▸ ABHD12 Q8N2K0 3/20 0.36
▸ ABHD6 Q9BV23 3/20 0.36
▸ FAAH O00519 2/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ GLRA1 P23415 1/20 0.36
▸ GPR183 P32249 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ GPR18 Q14330 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ GPR55 Q9Y2T6 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
SCHEMBL11787542 0.80 ALDH1A1 (0.46) —
SCHEMBL11795467 0.76 DRD4 (0.40) CNR1CNR2KDRGPR183
SCHEMBL11794440 0.74 AKR1B1 (0.37) CNR1CNR2OPRM1
SCHEMBL11787487 0.70 CNR2 (0.39) CNR1CNR2OPRM1
SCHEMBL11321070 0.68 CNR2 (0.55) CNR1CNR2OPRM1
SCHEMBL11787538 0.67 KMT2A (0.42) —
SCHEMBL11774583 0.63 CNR2 (0.56) CNR1CNR2OPRM1
SCHEMBL11321088 0.63 CNR2 (0.42) CNR1CNR2OPRM1
SCHEMBL11773119 0.62 CNR2 (0.47) CNR1CNR2OPRM1
SCHEMBL31545533 0.62 OPRM1 (0.54) CNR1CNR2OPRM1ABHD12ABHD6

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
US-3947462-A 2,4,7-substituted 5-hydroxy benzopyrans and esters ABBOTT LABORATORIES (US) 1976-03-30 — — US disclosed
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