SCHEMBL9535647

SCHEMBL9535647

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.45
▸ GABRG2 P18507 3/20 0.42
▸ GABRB3 P28472 3/20 0.42
▸ GABRA5 P31644 3/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ GABRA4 P48169 1/20 0.42
▸ GABRA6 Q16445 1/20 0.42
▸ KMT2A Q03164 5/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ SLC6A15 Q9H2J7 2/20 0.39
▸ IDE P14735 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ MAPT P10636 1/20 0.38

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) ADORA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL9535510 0.83 BRD4 (0.37) GABRG2GABRB3GABRA5HTR2AHTR2C
SCHEMBL9537919 0.82 AVPR1A (0.40) HTR2AHTR2CBRD4MAPT
SCHEMBL9540686 0.82 HTR2A (0.37) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9537917 0.78 ADORA3 (0.47) ADORA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL9536881 0.77 SMN1; SMN2 (0.41) ADORA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL9538692 0.74 ADORA3 (0.42) ADORA3GABRG2GABRB3GABRA5
SCHEMBL9535516 0.74 PTK2 (0.34) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9538271 0.74 ADORA3 (0.40) ADORA3GABRG2GABRB3GABRA5GABRA1
SCHEMBL9538216 0.73 PSEN1 (0.37) GABRG2GABRB3GABRA5GABRA1GABRA3

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