SCHEMBL11354858

SCHEMBL11354858

C#CCN1CCC2=C(C1)c1c(O)cc(CCC(C)CCCCC)cc1OC2(C)C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.52
▸ CNR1 P21554 5/20 0.49
▸ TRPA1 O75762 1/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ CYP2J2 P51589 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ TRPV3 Q8NET8 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ TRPV2 Q9Y5S1 1/20 0.38

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
SCHEMBL11837940 0.92 CNR2 (0.52) CNR2CNR1TRPA1CYP1A1CYP1A2
SCHEMBL11714099 0.90 CNR2 (0.63) CNR2CNR1TRPA1CYP1A1CYP1A2
SCHEMBL11712341 0.86 CNR2 (0.67) CNR2CNR1TRPA1CYP1A1CYP1A2
SCHEMBL11322658 0.86 CNR2 (0.51) CNR2CNR1TRPA1CYP1A1CYP1A2
SCHEMBL14456000 0.85 CNR2 (0.45) CNR2
SCHEMBL11718713 0.84 CNR2 (0.39) CNR2CNR1
SCHEMBL11354855 0.84 CNR2 (0.43) CNR2CNR1
Hydrochloric Acid SCHEMBL11738168 0.83 CNR2 (0.42) CNR2CNR1
SCHEMBL11715013 0.82 CNR2 (0.38) CNR2CNR1
Hydrochloric Acid SCHEMBL11714160 0.82 CNR2 (0.37) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4287192-A Antiglaucoma agents ABBOTT LABORATORIES (US) 1981-09-01 — — US disclosed
US-4248874-A QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 1981-02-03 — — US disclosed
US-4247557-A Benzopyranopyridines as antiglaucoma agents ABBOTT LABORATORIES (US) 1981-01-27 — — US disclosed
US-4217351-A Benzopyrano quinuclidines useful as antiglaucoma agents ABBOTT LABORATORIES (US) 1980-08-12 — — US disclosed
US-4136183-A BENZOPYRANOPYRIDINES AS ANTIGLAUCOMA AGENTS ABBOTT LABORATORIES (US) 1979-01-23 — — US disclosed
US-4042694-A ANALGESICS SHARPS ASSOCIATES (US) 1977-08-16 — — US disclosed
US-4025630-A Anesthesia methods using benzopyrans and esters thereof as pre-anesthesia medication ABBOTT LABORATORIES (US) 1977-05-24 — — US disclosed
US-3991194-A Heterocyclic esters of benzopyranopyridines SHARPS ASSOCIATES (US) 1976-11-09 — — US disclosed
Send feedback