SCHEMBL9752732

SCHEMBL9752732

CCc1ccc(-c2nc3ccccn3c2CN(C)C(=O)CC(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.64
▸ GABRA5 P31644 1/20 0.64
▸ GABRB2 P47870 1/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KCNK3 O14649 4/20 0.44
▸ KCNK9 Q9NPC2 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PLAU P00749 1/20 0.43

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
SCHEMBL9797571 0.95 GABRA1 (0.59) GABRA1GABRA5GABRB2SMN1; SMN2KDM4E
Necopidem SCHEMBL1061121 0.84 GABRA1 (0.57) GABRA1GABRA5GABRB2KDM4ENPC1
SCHEMBL9797224 0.81 PLAU (0.47) GABRA1GABRA5GABRB2SMN1; SMN2KDM4E
Saripidem SCHEMBL1061054 0.78 GABRB2 (1.00) GABRA1GABRA5GABRB2SMN1; SMN2KDM4E
SCHEMBL10385117 0.76 GABRA1 (0.66) GABRA1GABRA5GABRB2KDM4ENPC1
SCHEMBL9788651 0.74 GABRA1 (0.52) GABRA1GABRA5GABRB2KDM4ENPC1
Hydrochloric Acid SCHEMBL10385129 0.73 GABRB2 (0.51) GABRA1GABRA5GABRB2KDM4E
SCHEMBL9788699 0.73 GABRA1 (0.58) GABRA1GABRA5GABRB2KDM4ENPC1
SCHEMBL10467219 0.73 GABRA1 (0.55) GABRA1GABRA5GABRB2KDM4EALDH1A1
SCHEMBL9788667 0.73 GABRA1 (0.55) GABRA1GABRA5GABRB2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064836-A Imidazopyridine for use as an anaesthetic SYNTHELABO (FR) 1991-11-12 — — US claimed
JP-3181419-A — — None — — JP disclosed
US-5064836-A Imidazopyridine for use as an anaesthetic SYNTHELABO (FR) 1991-11-12 — — US disclosed
US-5064836-A Imidazopyridine for use as an anaesthetic SYNTHELABO (FR) 1991-11-12 — — US disclosed
JP-H03181419-A ANESTHETIC AGENT COMPRISING IMIDAZOPYRIDINE SYNTHELABO SA 1991-08-07 — — JP disclosed
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