SCHEMBL11630251

SCHEMBL11630251

CCCC(C)(c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(Cc2ccccc2)CC1)c1cc(Cl)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.36
▸ CNR1 P21554 7/20 0.36
▸ DRD4 P21917 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL11738668 0.83 CNR2 (0.40) CNR2CNR1
SCHEMBL11815689 0.79 CNR2 (0.50) CNR2CNR1DRD4MEN1GAA
Hydrochloric Acid SCHEMBL11630978 0.79 CACNA1G (0.30) —
SCHEMBL11716511 0.75 CNR2 (0.62) CNR2CNR1
SCHEMBL11628130 0.73 CNR2 (0.36) CNR2CNR1
SCHEMBL11741280 0.72 CNR1 (0.44) CNR2CNR1MEN1GAAKMT2A
SCHEMBL11322658 0.70 CNR2 (0.51) CNR2CNR1
SCHEMBL11322652 0.70 CNR2 (0.43) CNR2CNR1
SCHEMBL11627150 0.69 CNR2 (0.51) CNR2CNR1
Hydrochloric Acid SCHEMBL11627754 0.68 CNR1 (0.33) CNR2CNR1

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-4081449-A ANALGESICS, ANTICONVULSANTS ABBOTT LABORATORIES (US) 1978-03-28 — — US disclosed
US-4025630-A Anesthesia methods using benzopyrans and esters thereof as pre-anesthesia medication ABBOTT LABORATORIES (US) 1977-05-24 — — US disclosed
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