SCHEMBL28862766

SCHEMBL28862766

C=Cc1ccccc1CCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ CNR1 P21554 12/20 0.46
▸ CNR2 P34972 4/20 0.44
▸ CYP2A13 Q16696 4/20 0.44

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
SCHEMBL23094139 0.85 HRH3 (0.57) SIGMAR1
SCHEMBL6223730 0.84 POLB (0.47) POLBSIGMAR1CNR1CNR2CYP2A13
SCHEMBL1110832 0.84 CYP2A13 (0.58) CYP2A13
SCHEMBL14777446 0.83 CYP2A13 (0.57) CYP2A13
SCHEMBL4425954 0.80 SIGMAR1 (0.53) POLBSIGMAR1CNR1CYP2A13
SCHEMBL3718831 0.76 SIGMAR1 (0.60) POLBSIGMAR1CYP2A13
SCHEMBL6228351 0.76 CYP2A13 (0.70) POLBSIGMAR1CNR1CYP2A13
SCHEMBL12226961 0.76 CYP2A13 (0.70) POLBSIGMAR1CNR1CYP2A13
SCHEMBL4105446 0.76 KCNH2 (0.74) POLBSIGMAR1CNR1CYP2A13
SCHEMBL27692704 0.76 CYP2A13 (0.51) POLBSIGMAR1CYP2A13

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
CN-108473621-A Modifier, modified conjugated diene polymer and preparation method thereof 株式会社LG化学 2018-08-31 — — CN disclosed
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