SCHEMBL9538692

SCHEMBL9538692

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.42
▸ TSHR P16473 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NOTUM Q6P988 2/20 0.37
▸ HSD17B3 P37058 4/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ HTT P42858 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PTK2 Q05397 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL9540537 0.90 ADORA3 (0.42) ADORA3TSHRMAPK1NOTUMHSD17B3
SCHEMBL9538271 0.90 ADORA3 (0.40) ADORA3TSHRMAPK1HSD17B3GABRG2
SCHEMBL9538358 0.88 ADORA3 (0.39) ADORA3TSHRMAPK1HSD17B3GABRG2
SCHEMBL9537910 0.88 ADORA3 (0.39) ADORA3TSHRMAPK1NOTUMHSD17B3
SCHEMBL9537702 0.87 ADORA3 (0.39) ADORA3TSHRMAPK1HSD17B3GABRG2
SCHEMBL9537679 0.87 ADORA3 (0.39) ADORA3TSHRMAPK1HSD17B3GABRG2
SCHEMBL9537279 0.87 ADORA3 (0.43) ADORA3TSHRMAPK1NOTUMHSD17B3
SCHEMBL9536881 0.87 SMN1; SMN2 (0.41) ADORA3TSHRMAPK1GABRG2GABRB3
SCHEMBL9537519 0.84 ADORA3 (0.41) ADORA3TSHRMAPK1NOTUMHSD17B3
SCHEMBL9537742 0.76 PSEN1 (0.47) ADORA3TSHRMAPK1HSD17B3HTT

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
Send feedback