SCHEMBL9797224

SCHEMBL9797224

CCc1ccc(-c2nc3ccccn3c2CNC(=O)CC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.47
▸ GABRA1 P14867 1/20 0.46
▸ GABRA5 P31644 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ KCNK3 O14649 3/20 0.43
▸ KCNK9 Q9NPC2 3/20 0.43
▸ MAPK1 P28482 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
SCHEMBL9752732 0.81 GABRA1 (0.64) PLAUGABRA1GABRA5GABRB2SMN1; SMN2
SCHEMBL9797571 0.79 GABRA1 (0.59) PLAUGABRA1GABRA5GABRB2SMN1; SMN2
SCHEMBL20579952 0.77 GABRA1 (0.66) GABRA1GABRA5GABRB2SMN1; SMN2RAB9A
SCHEMBL9788648 0.73 RAB9A (0.55) GABRA1GABRB2SMN1; SMN2CYP1A2CYP2C9
SCHEMBL10465838 0.73 GABRA1 (0.50) GABRA1GABRB2RAB9AKDM4ENPC1
SCHEMBL31073619 0.72 PLAU (0.46) PLAUSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL10466564 0.71 GABRA1 (0.51) GABRA1GABRB2KDM4EALDH1A1
SCHEMBL24670283 0.71 HPGD (0.73) SMN1; SMN2CYP1A2CYP2C19RAB9AKDM4E
SCHEMBL9788618 0.71 GABRA1 (0.47) GABRA1GABRB2SMN1; SMN2RAB9AKDM4E
SCHEMBL9788650 0.71 GABRA1 (0.45) GABRA1GABRB2KDM4E

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-5064836-A Imidazopyridine for use as an anaesthetic SYNTHELABO (FR) 1991-11-12 — — US disclosed
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