SCHEMBL9537702

SCHEMBL9537702

CCCCCCCCCCCCCCn1ncc2c1-c1cc(Cl)ccc1N(C(=O)CC)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.39
▸ DRD2 P14416 2/20 0.38
▸ GABRG2 P18507 3/20 0.38
▸ GABRB3 P28472 3/20 0.38
▸ GABRA5 P31644 3/20 0.38
▸ GABRA1 P14867 2/20 0.38
▸ GABRA3 P34903 2/20 0.38
▸ GABRA2 P47869 2/20 0.38
▸ GABRA6 Q16445 2/20 0.38
▸ SMPD1 P17405 1/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PTGIR P43119 2/20 0.34
▸ KMO O15229 1/20 0.34
▸ HSD17B3 P37058 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GLA P06280 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
SCHEMBL9538271 0.89 ADORA3 (0.40) ADORA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL9538692 0.87 ADORA3 (0.42) ADORA3GABRG2GABRB3GABRA5MAPK1
SCHEMBL9537679 0.86 ADORA3 (0.39) ADORA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL9540537 0.85 ADORA3 (0.42) ADORA3GABRG2GABRB3GABRA5MAPK1
SCHEMBL9537279 0.84 ADORA3 (0.43) ADORA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL9537910 0.83 ADORA3 (0.39) ADORA3GABRG2GABRB3GABRA5MAPK1
SCHEMBL9536881 0.81 SMN1; SMN2 (0.41) ADORA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL9537635 0.80 ADORA3 (0.41) ADORA3DRD2GABRG2GABRB3GABRA5
SCHEMBL9538215 0.74 MMP12 (0.49) ADORA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL9535647 0.72 ADORA3 (0.45) ADORA3GABRG2GABRB3GABRA5GABRA1

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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