SCHEMBL9869130

SCHEMBL9869130

CCCCCCCCn1c(C)c(-c2ccc(C(=O)c3ccc(-c4c(C)n(CCCCCCCC)c5ccccc45)cc3C(=O)O)c(C(=O)O)c2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 18/20 0.55
▸ CNR1 P21554 9/20 0.54
▸ SLC6A3 Q01959 1/20 0.53
▸ PSEN1 P49768 1/20 0.51
▸ PSEN2 P49810 1/20 0.51
▸ APH1B Q8WW43 1/20 0.51
▸ NCSTN Q92542 1/20 0.51
▸ APH1A Q96BI3 1/20 0.51
▸ PSENEN Q9NZ42 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL9869124 0.82 CNR2 (0.62) CNR2CNR1SLC6A3
SCHEMBL7840464 0.81 CNR2 (0.77) CNR2CNR1SLC6A3
SCHEMBL11315147 0.79 CNR2 (0.76) CNR2CNR1SLC6A3
SCHEMBL28763406 0.78 KDM4E (0.63) CNR2CNR1SLC6A3KDM4EMAPT
SCHEMBL27589738 0.76 CNR2 (0.58) CNR2CNR1SLC6A3KDM4EMAPT
SCHEMBL11069801 0.76 CNR2 (0.76) CNR2CNR1SLC6A3MAPT
SCHEMBL11150831 0.75 CNR2 (0.72) CNR2CNR1SLC6A3
SCHEMBL11156819 0.75 CNR2 (0.72) CNR2CNR1SLC6A3
SCHEMBL11152725 0.75 CNR2 (0.72) CNR2CNR1SLC6A3
SCHEMBL11153861 0.75 CNR2 (0.72) CNR2CNR1SLC6A3

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-5071986-A For pressure or heat sensitive recording materials CIBA-GEIGY CORPORATION (US) 1991-12-10 — — US disclosed
US-4876357-A FOR PRESSURE AND HEAT SENSITIVE ELEMENTS CIBA-GEIGY CORPORATION (US) 1989-10-24 — — US disclosed
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