SCHEMBL6983077

SCHEMBL6983077

Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCC(NCCC(c3ccccc3)c3ccccc3)CC1)O2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.39
CCR2 P41597 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
BACE1 P56817 2/20 0.33
SIGMAR1 Q99720 2/20 0.32
KCNA3 P22001 1/20 0.31
MPO P05164 2/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
ACHE P22303 1/20 0.30
TPSAB1 Q15661 1/20 0.30

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
Hydrochloric Acid SCHEMBL6983934 0.99 SOS1 (0.39) SOS1CCR2MEN1KMT2AMAPT
SCHEMBL6983768 0.87 ACHE (0.35) SLC6A4SLC6A3SIGMAR1ACHETPSAB1
Hydrochloric Acid SCHEMBL6984600 0.87 TPSAB1 (0.33) CCR2SIGMAR1KCNA3ACHETPSAB1
Hydrochloric Acid SCHEMBL6976629 0.86 ACHE (0.35) SLC6A4SLC6A3SIGMAR1ACHETPSAB1
SCHEMBL6983686 0.86 CHRM1 (0.32) SLC6A2SLC6A4
SCHEMBL6980124 0.86 CHRM1 (0.32) SLC6A2SLC6A4
SCHEMBL6976347 0.86 CHRM1 (0.32) SLC6A2SLC6A4
SCHEMBL6985201 0.85 EPHX2 (0.45) MEN1KMT2ATPSAB1
Hydrochloric Acid SCHEMBL6980788 0.85 CHRM1 (0.31) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6978492 0.85 EPHX2 (0.45) MEN1KMT2A

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 2 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