SCHEMBL11740626

SCHEMBL11740626

CCCCCCC1(CCCCCC)Oc2cc(C(C)CC3CC3)cc(O)c2C2=C1SCC2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.35
▸ CNR1 P21554 2/20 0.34
▸ PTPN1 P18031 2/20 0.34
▸ KDR P35968 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
SCHEMBL11791819 0.83 PTPN1 (0.35) CNR2CNR1PTPN1KDR
SCHEMBL11736546 0.83 CNR2 (0.39) CNR2CNR1
SCHEMBL11740634 0.81 CNR2 (0.46) CNR2CNR1
SCHEMBL11739017 0.80 PTPN1 (0.39) CNR2CNR1PTPN1
SCHEMBL11791833 0.77 CNR2 (0.44) CNR2CNR1PTPN1
SCHEMBL11738815 0.77 KDR (0.44) CNR2CNR1PTPN1KDR
SCHEMBL11734837 0.76 KDR (0.43) CNR2CNR1KDR
SCHEMBL11739031 0.71 CNR2 (0.41) CNR2CNR1KDR
Tinabinol SCHEMBL122290 0.67 CNR2 (0.39) CNR2CNR1KDR
SCHEMBL11738826 0.66 CNR2 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4025630-A Anesthesia methods using benzopyrans and esters thereof as pre-anesthesia medication ABBOTT LABORATORIES (US) 1977-05-24 — — US disclosed
US-3972880-A TRANQUILIZER SHARPS ASSOCIATES (US) 1976-08-03 — — US disclosed
US-3960871-A ANTIDEPRESSANT, ANALGESICS, ANTICONVULSANT ANTI-ANXIETY ACTIVITY SHARPS ASSOCIATES (US) 1976-06-01 — — US disclosed
US-3940421-A Intermediates for the preparation of thienobenzopyrans and thiopyranobenzopyrans ARTHUR D. LITTLE, INC. (US) 1976-02-24 — — US disclosed
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