SCHEMBL9536729

SCHEMBL9536729

COCCC(=O)N1CC(=CN(C)C)C(=O)c2cc(Cl)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 3/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRA6 Q16445 2/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
GABRA4 P48169 1/20 0.33
HSD17B3 P37058 2/20 0.32
NOTUM Q6P988 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL9536715 1.00 CXCL12 (0.36) CXCL12PTGDR2KDM4EMEN1KMT2A
SCHEMBL9539213 0.86 ADORA3 (0.41) KDM4EMEN1KMT2AMAPTGABRA1
SCHEMBL9539218 0.86 ADORA3 (0.41) KDM4EMEN1KMT2AMAPTGABRA1
SCHEMBL9538869 0.84 DRD2 (0.41) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL9538873 0.84 DRD2 (0.41) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL9539418 0.82 ADORA3 (0.42) KDM4EMEN1KMT2AMAPTGABRA1
SCHEMBL9539420 0.82 ADORA3 (0.42) KDM4EMEN1KMT2AMAPTGABRA1
SCHEMBL9538292 0.79 KMT2A (0.36) KDM4EMEN1KMT2AGABRA1GABRG2
SCHEMBL9538285 0.79 KMT2A (0.36) KDM4EMEN1KMT2AGABRA1GABRG2
SCHEMBL9539130 0.78 CNR1 (0.37) KDM4EMEN1KMT2AMAPTPOLB

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