SCHEMBL8445400

SCHEMBL8445400

CC(C)(C)OC(=O)N1CCC(CCCN2C(=O)CCc3ccccc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 14/20 0.62
▸ CHRM4 P08173 14/20 0.62
▸ CHRM5 P08912 14/20 0.62
▸ CHRM1 P11229 14/20 0.62
▸ CHRM3 P20309 14/20 0.62
▸ DRD2 P14416 12/20 0.61
▸ DRD4 P21917 12/20 0.61
▸ DRD3 P35462 12/20 0.61
▸ ADRB2 P07550 2/20 0.61
▸ ADRB1 P08588 2/20 0.61
▸ ADRA1D P25100 2/20 0.61
▸ ADRA1A P35348 2/20 0.61
▸ ADRA1B P35368 2/20 0.61
▸ GPR119 Q8TDV5 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ PKM P14618 1/20 0.51

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
SCHEMBL6953531 0.80 ACHE (0.55) GPR119KDM4EPKM
SCHEMBL5870656 0.80 KDM1A (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7479526 0.79 — —
SCHEMBL5475624 0.78 ACHE (0.53) GPR119KDM4EPKM
SCHEMBL31596884 0.78 GPR119 (0.53) GPR119KDM4EPKM
SCHEMBL24664329 0.77 KDM4E (0.60) GPR119KDM4EPKM
SCHEMBL31033157 0.76 DRD2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8445319 0.76 CHRM2 (0.67) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4100746 0.76 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30987427 0.76 DRD2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3

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-0934932-A1 QUINOLINE DERIVATIVES AND PSYCHOTROPIC AGENT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-08-11 — — EP disclosed
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