SCHEMBL9537519

SCHEMBL9537519

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.41
▸ HSD17B3 P37058 5/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ KMO O15229 1/20 0.36
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA5 P31644 2/20 0.36
▸ HTT P42858 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP11B2 P19099 3/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NOTUM Q6P988 1/20 0.33

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
SCHEMBL9537279 0.85 ADORA3 (0.43) ADORA3HSD17B3HTR2AHTR2CGABRG2
SCHEMBL9538692 0.84 ADORA3 (0.42) ADORA3HSD17B3GABRG2GABRB3GABRA5
SCHEMBL9540537 0.82 ADORA3 (0.42) ADORA3HSD17B3KMOGABRG2GABRB3
SCHEMBL9538271 0.82 ADORA3 (0.40) ADORA3HSD17B3GABRG2GABRB3GABRA5
SCHEMBL9538358 0.80 ADORA3 (0.39) ADORA3HSD17B3GABRG2GABRB3GABRA5
SCHEMBL9537910 0.80 ADORA3 (0.39) ADORA3HSD17B3GABRG2GABRB3GABRA5
SCHEMBL9537679 0.79 ADORA3 (0.39) ADORA3HSD17B3GABRG2GABRB3GABRA5
SCHEMBL9537702 0.79 ADORA3 (0.39) ADORA3HSD17B3KMOGABRG2GABRB3
SCHEMBL9536881 0.79 SMN1; SMN2 (0.41) ADORA3GABRG2GABRB3GABRA5HTT
SCHEMBL9538483 0.77 ADORA3 (0.44) ADORA3HSD17B3GABRG2GABRB3GABRA5

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 8 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 claimed
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 claimed
CN-85108618-A The preparation method of benzene-fused heterocyclic compound — 1986-08-27 — — CN claimed
EP-0180352-A2 Benzene-fused heterocyclic compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 — — EP claimed
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
Send feedback