SCHEMBL11778876

SCHEMBL11778876

CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(CC)(CC)C1=C2CCC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.37
▸ CNR1 P21554 2/20 0.35
▸ KDR P35968 1/20 0.33
▸ PTPN1 P18031 1/20 0.31

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
SCHEMBL11734041 0.89 CNR2 (0.46) CNR2CNR1KDR
SCHEMBL31546201 0.89 CNR2 (0.46) CNR2CNR1KDR
SCHEMBL11742241 0.87 CNR2 (0.46) CNR2CNR1KDR
SCHEMBL11774390 0.82 PTPN1 (0.36) CNR2CNR1KDRPTPN1
SCHEMBL11722742 0.82 CNR2 (0.35) CNR2CNR1
SCHEMBL11743076 0.79 CNR2 (0.38) CNR2CNR1KDRPTPN1
SCHEMBL11813384 0.78 CNR2 (0.31) CNR2CNR1KDR
SCHEMBL11780197 0.78 CNR2 (0.59) CNR2CNR1
SCHEMBL11791771 0.77 CNR2 (0.45) CNR2CNR1KDR
SCHEMBL31545687 0.77 CNR2 (0.45) CNR2CNR1KDR

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-4051152-A TRANQUILIZERS, ANALGESICS SHARPS ASSOCIATES (US) 1977-09-27 — — US disclosed
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