SCHEMBL9539428

SCHEMBL9539428

CCC(C)C(C)C(=O)N1C/C(=C/N(C)C)C(=O)c2cc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.33
GABRG2 P18507 5/20 0.33
GABRB3 P28472 5/20 0.33
GABRA5 P31644 5/20 0.33
GABRA3 P34903 5/20 0.33
GABRA2 P47869 5/20 0.33
GABRA6 Q16445 5/20 0.33
HSD17B3 P37058 2/20 0.32
NOTUM Q6P988 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALDH2 P05091 2/20 0.31
ALDH3A1 P30838 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AVPR1A P37288 1/20 0.30
PSMB5 P28074 1/20 0.30

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
SCHEMBL9539432 1.00 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9539218 0.84 ADORA3 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9539213 0.84 ADORA3 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9539418 0.82 ADORA3 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9539420 0.82 ADORA3 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9538285 0.81 KMT2A (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9538292 0.81 KMT2A (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9538869 0.78 DRD2 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9538873 0.78 DRD2 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9539130 0.78 CNR1 (0.37) HSD17B3NOTUMALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180352-B1 BENZENE-FUSED HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-26 EP disclosed
US-4767780-A SUBSTITUTED 1,4-DIHYDRO-(1)-BENZOPYRANO(4,3-C)PYRAZOLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-30 US disclosed
US-4675324-A Substituted pyrazolo [4,3-c]pyridines and their use as uricosuric, diuretic and anti-hypertensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-23 US disclosed