SCHEMBL9079825

SCHEMBL9079825

CN(C)C(=O)Cc1c(-c2ccc(F)cc2)nc2n3c4c(cccc4n12)CC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.48
▸ GABRB2 P47870 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TSPO P30536 1/20 0.35
▸ AHR P35869 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
SCHEMBL9079247 0.91 NR4A2 (0.39) GABRA1GABRB2KDM4EKCNH2LMNA
SCHEMBL9078734 0.88 LMNA (0.37) KDM4ELMNAAHRMAPTKCNK3
SCHEMBL9077618 0.87 AHR (0.37) GABRA1GABRB2KDM4EAHRMAPT
SCHEMBL9277713 0.86 NR4A2 (0.38) GABRA1GABRB2KDM4EKCNH2LMNA
SCHEMBL9077919 0.80 AHR (0.34) GABRA1GABRB2KDM4EKCNH2AHR
SCHEMBL9078562 0.80 KDM4E (0.35) KDM4ELMNAHSD17B10MAPTPLA2G1B
SCHEMBL9079761 0.80 AHR (0.34) GABRA1GABRB2KDM4EAHRMAPT
SCHEMBL9080914 0.78 KDM4E (0.39) KDM4ELMNAHPGDMAPTKMT2A
SCHEMBL9281297 0.74 MCL1 (0.40) KDM4ELMNAHPGDHSD17B10KMT2A
SCHEMBL9278661 0.72 MCL1 (0.37) KDM4ELMNAHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512590-A PREVENTS DISORDER OF GABAERGIC TRANSMISSION SYNTHELABO (FR) 1996-04-30 — — US disclosed
EP-0682025-A1 5,6-dihydro-4H-imidazo 2',1':2,3 imidazo 4,5,1-ij quinoline and 4,5-dihydroimidazo 1,2-a pyrrolo 1,2,3-cd benzimidazol derivatives SYNTHELABO (FR) 1995-11-15 — — EP disclosed
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