SCHEMBL9537679

SCHEMBL9537679

CCC(=O)N1Cc2cnn(CCN(C)C)c2-c2cc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.39
▸ GABRG2 P18507 3/20 0.34
▸ GABRB3 P28472 3/20 0.34
▸ GABRA5 P31644 3/20 0.34
▸ HSD17B3 P37058 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CACNA1S Q13698 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRA3 P34903 2/20 0.32
▸ GABRA2 P47869 2/20 0.32
▸ GABRA6 Q16445 2/20 0.32
▸ GABRB2 P47870 1/20 0.32

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
SCHEMBL9538271 0.89 ADORA3 (0.40) ADORA3GABRG2GABRB3GABRA5HSD17B3
SCHEMBL9538692 0.87 ADORA3 (0.42) ADORA3GABRG2GABRB3GABRA5HSD17B3
SCHEMBL9537702 0.86 ADORA3 (0.39) ADORA3GABRG2GABRB3GABRA5HSD17B3
SCHEMBL9540537 0.85 ADORA3 (0.42) ADORA3GABRG2GABRB3GABRA5HSD17B3
SCHEMBL9537279 0.84 ADORA3 (0.43) ADORA3GABRG2GABRB3GABRA5HSD17B3
SCHEMBL9538358 0.83 ADORA3 (0.39) ADORA3GABRG2GABRB3GABRA5HSD17B3
SCHEMBL9537910 0.83 ADORA3 (0.39) ADORA3GABRG2GABRB3GABRA5HSD17B3
SCHEMBL10681156 0.81 MEN1 (0.33) ADORA3GABRG2GABRB3GABRA5TSHR
SCHEMBL9536881 0.81 SMN1; SMN2 (0.41) ADORA3GABRG2GABRB3GABRA5TSHR
SCHEMBL9537519 0.79 ADORA3 (0.41) ADORA3GABRG2GABRB3GABRA5HSD17B3

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 4 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
EP-0180352-A2 Benzene-fused heterocyclic compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 — — EP disclosed
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