SCHEMBL12014970

SCHEMBL12014970

CCCCCCC(C)(C)c1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 18/20 0.59
▸ CNR1 P21554 16/20 0.47
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TSHR P16473 1/20 0.42

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
SCHEMBL15458095 0.83 RAB9A (0.49) NPC1RAB9ATSHR
SCHEMBL8768823 0.82 CNR2 (0.67) CNR2CNR1
SCHEMBL16152360 0.80 CNR2 (0.46) CNR2CNR1
SCHEMBL11976541 0.80 TSHR (0.65) NPC1RAB9ATSHR
SCHEMBL19723432 0.80 TSHR (0.65) NPC1RAB9ATSHR
SCHEMBL16152371 0.79 CNR2 (0.51) CNR2CNR1NPC1RAB9A
SCHEMBL15178729 0.78 TSHR (0.62) NPC1RAB9ATSHR
SCHEMBL12621113 0.78 TSHR (0.62) NPC1RAB9ATSHR
SCHEMBL11984186 0.78 CNR2 (0.47) CNR2CNR1
SCHEMBL19558571 0.78 CNR2 (0.48) CNR2CNR1NPC1RAB9ATSHR

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
EP-2492276-A1 METAL COMPLEX, POLYMER, AND ELEMENT OBTAINED USING SAME Sumitomo Chemical Company, Limited (JP) 2012-08-29 — — EP disclosed
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