SCHEMBL9292241

SCHEMBL9292241

CCCCCCCCCCN1CCN(C(=O)C(N)c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 2/20 0.67
▸ HRH2 P25021 5/20 0.56
▸ HRH1 P35367 5/20 0.56
▸ PKM P14618 1/20 0.52
▸ KCNH2 Q12809 1/20 0.50
▸ OPRK1 P41145 3/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46

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
SCHEMBL4989120 0.89 HRH2 (0.55) CHRM3HRH2HRH1OPRK1CHRM1
SCHEMBL4984605 0.84 CHRM1 (0.66) HRH2HRH1CHRM1
SCHEMBL18199751 0.81 CHRM3 (1.00) CHRM3PKMKCNH2
SCHEMBL3864848 0.81 CHRM3 (0.62) CHRM3PKMKCNH2DRD3
SCHEMBL18390259 0.79 CHRM1 (0.61) CHRM3HRH2HRH1KCNH2DRD3
Hydrochloric Acid SCHEMBL21995059 0.79 ROCK2 (0.54) CHRM3HRH2HRH1CHRM1
Hydrochloric Acid SCHEMBL21995057 0.79 ROCK2 (0.54) CHRM3HRH2HRH1CHRM1
SCHEMBL28015716 0.77 CHRM3 (0.58) CHRM3HRH2HRH1PKMKCNH2
SCHEMBL9462405 0.77 PKM (0.51) CHRM3PKMKCNH2DRD3
SCHEMBL9462114 0.77 PKM (0.51) CHRM3PKMKCNH2DRD3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5032645-A — — None — — JP disclosed
US-5318970-A Cyclooxygenase, lipoxygenase inhibitors TAIHO PHARMACEUTICAL CO., LTD. (JP) 1994-06-07 — — US disclosed
EP-0549797-A1 ISOXAZOLE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND MEDICINAL USE THEREOF TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1993-07-07 — — EP disclosed
JP-H0532645-A AMINE COMPOUND TAIHO YAKUHIN KOGYO KK 1993-02-09 — — JP disclosed
US-5182284-A Antiasthmatic agent, antiallergen, antiinflammatory agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 1993-01-26 — — US disclosed
EP-0465659-A1 PIPERAZINE COMPOUND, PRODUCTION THEREOF, AND MEDICINAL USE THEREOF TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-01-15 — — EP disclosed
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