SCHEMBL5212084

SCHEMBL5212084

Cn1ccnc(N2CCC(CCc3cccc4c3OCC4)CC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.43
▸ CHRM4 P08173 1/20 0.39
▸ DRD2 P14416 15/20 0.38
▸ HTR2A P28223 15/20 0.38
▸ DRD3 P35462 15/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ NMT1 P30419 1/20 0.36

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
SCHEMBL5215166 0.78 SCD (0.43) SCDDRD2HTR2ADRD3
SCHEMBL5217243 0.77 SCD (0.48) SCD
SCHEMBL5213218 0.73 SCD (0.46) SCDCHRM4DRD2HTR2A
SCHEMBL1475280 0.71 CHRM2 (0.40) CHRM4DRD2DRD3CHRM2CHRM1
SCHEMBL1475162 0.70 CHRM4 (0.41) CHRM4CHRM2CHRM1CHRM3
SCHEMBL1475516 0.69 SLC6A4 (0.47) CHRM4HTR2AATMNMT1
SCHEMBL5214241 0.66 SCD (0.45) SCD
SCHEMBL5213811 0.65 SCD (0.76) SCD
SCHEMBL5210901 0.65 SCD (0.61) SCD
SCHEMBL5213158 0.64 SCD (0.45) SCD

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-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 — — EP claimed
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