SCHEMBL9540686

SCHEMBL9540686

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 10/20 0.37
▸ HTR2C P28335 10/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ AVPR1A P37288 4/20 0.35
▸ OXTR P30559 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ HSD17B3 P37058 1/20 0.34
▸ EPHX2 P34913 1/20 0.34

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 0.86 ADORA3 (0.43) HTR2AHTR2CKDM4EGABRA1GABRG2
SCHEMBL9535647 0.82 ADORA3 (0.45) HTR2AHTR2CGABRA1GABRG2GABRB3
SCHEMBL9537919 0.79 AVPR1A (0.40) HTR2AHTR2CKDM4EAVPR1AHSD17B3
SCHEMBL9535510 0.79 BRD4 (0.37) HTR2AHTR2CGABRG2GABRB3GABRA5
SCHEMBL9538692 0.74 ADORA3 (0.42) KDM4EGABRG2GABRB3GABRA5HSD17B3
SCHEMBL9538271 0.74 ADORA3 (0.40) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL9536781 0.73 KDM4E (0.39) KDM4EAVPR1AOXTRHSD17B3
SCHEMBL9537519 0.72 ADORA3 (0.41) HTR2AHTR2CKDM4EGABRG2GABRB3
SCHEMBL9538397 0.72 NOTUM (0.42) KDM4E
SCHEMBL9535516 0.72 PTK2 (0.34) HTR2AHTR2CGABRA1GABRG2GABRB3

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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