SCHEMBL9333208

SCHEMBL9333208

Cc1nc2cnccc2n1-c1ccc(C(=O)N2CCC(=C3c4ccccc4CC(O)c4sccc43)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.44
▸ HRH4 Q9H3N8 2/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ AOC3 Q16853 1/20 0.35
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35

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
SCHEMBL9333178 0.86 FNTA (0.46) HRH1HRH3ROCK2MGLLALDH1A1
SCHEMBL9332847 0.85 DRD3 (0.51) HRH1HRH4HRH3ROCK2ALDH1A1
SCHEMBL9380680 0.80 PTAFR (0.55) HRH1FNTAFNTB
SCHEMBL20978788 0.78 HRH1 (0.52) HRH1HRH4HPGDHTTFNTA
SCHEMBL9332709 0.76 FNTA (0.63) HRH1FNTAFNTB
SCHEMBL9332755 0.76 FNTA (0.63) HRH1FNTAFNTB
SCHEMBL9333282 0.74 PTAFR (0.59) HRH1MGLLFNTAFNTB
SCHEMBL9332876 0.73 FNTA (0.65) HRH1FNTAFNTB
SCHEMBL20381726 0.71 HRH1 (0.54) HRH1HRH4FNTAFNTB
SCHEMBL9333210 0.71 FNTA (0.52) HRH1FNTAFNTB

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
US-5358953-A For treatment of allergic rhinitis PFIZER INC. (US) 1994-10-25 — — US disclosed
Send feedback