SCHEMBL8444445

SCHEMBL8444445

COC(=O)c1cccc(-c2ccoc2C(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ERN1 O75460 2/20 0.43
PDK2 Q15119 1/20 0.43
AXL P30530 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ASH1L Q9NR48 1/20 0.42
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41

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
SCHEMBL27361695 0.88 CA12 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8443666 0.83 KDM4E (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8444495 0.80 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8805324 0.78 LMNA (0.35)
SCHEMBL8443412 0.77 ERN1 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8805333 0.77 HTR2B (0.42)
SCHEMBL16749656 0.76 CA12 (0.58) RAB9ANPC1CA12CA9CA1
SCHEMBL7823692 0.76 CHRM2 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8443419 0.76 KAT6A (0.36)
SCHEMBL8442668 0.76 NPC1 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed