SCHEMBL6980805

SCHEMBL6980805

Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCC(Nc3ccccc3)CC1)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA13 Q8N1Q1 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CCR5 P51681 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL6980124 0.85 CHRM1 (0.32)
SCHEMBL6976347 0.85 CHRM1 (0.32)
SCHEMBL6983686 0.85 CHRM1 (0.32)
Hydrochloric Acid SCHEMBL6980788 0.84 CHRM1 (0.31)
SCHEMBL6981562 0.84 DRD2 (0.43) CARM1PRMT6KMT2AMEN1TP53
SCHEMBL6981384 0.84 DRD2 (0.43) CARM1PRMT6KMT2AMEN1TP53
SCHEMBL7811043 0.84 DRD2 (0.43) CARM1PRMT6KMT2AMEN1TP53
Bromide SCHEMBL7811677 0.83 DRD2 (0.42) CARM1PRMT6KDM4EKMT2AMEN1
Bromide SCHEMBL7811682 0.83 DRD2 (0.42) CARM1PRMT6KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL7811763 0.83 DRD2 (0.42) CARM1PRMT6KMT2AMEN1TP53

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-0923575-B1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP disclosed
US-6172085-B1 CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
EP-0923575-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS Takeda Chemical Industries, Ltd. (JP) 1999-06-23 EP disclosed
WO-1998008842-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed