SCHEMBL6980208

SCHEMBL6980208

CC1=C(C)C2=C(N)C(C)(CN3CCC(OCc4ccccc4)CC3)CC2=C(C)O1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 8/20 0.43
PRMT6 Q96LA8 8/20 0.43
PRMT8 Q9NR22 3/20 0.43
SIGMAR1 Q99720 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PRMT3 O60678 1/20 0.37
BCHE P06276 6/20 0.36
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
DPP4 P27487 1/20 0.35
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL6985090 0.89 OPRM1 (0.36) CARM1PRMT6PRMT8SIGMAR1TMEM97
SCHEMBL6979708 0.85 PRMT6 (0.43) CARM1PRMT6PRMT8SIGMAR1TMEM97
Hydrochloric Acid SCHEMBL6985853 0.82 DRD2 (0.40) CARM1PRMT6SIGMAR1
Hydrochloric Acid SCHEMBL6979051 0.81 LMNA (0.41) SIGMAR1
Hydrochloric Acid SCHEMBL6982195 0.77 SIGMAR1 (0.45) SIGMAR1
Hydrochloric Acid SCHEMBL6986246 0.75 ADRA1D (0.46)
Hydrochloric Acid SCHEMBL6981605 0.72 MEN1 (0.41) BCHE
Hydrochloric Acid SCHEMBL6985676 0.72 SMN1; SMN2 (0.42) SIGMAR1OPRM1
Hydrochloric Acid SCHEMBL6984562 0.72 SIGMAR1 (0.43) SIGMAR1
Hydrochloric Acid SCHEMBL6986381 0.70 KDM4E (0.41) BCHE

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