SCHEMBL6981079

SCHEMBL6981079

CC1=C(C)C2=C(N)C(C)(CN3CCC(CCCc4ccccc4)CC3)CC2=C(C)O1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
SLC18A3 Q16572 1/20 0.40
CCR5 P51681 5/20 0.38
ACHE P22303 2/20 0.38
CYP2D6 P10635 1/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
CCR3 P51677 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
OPRK1 P41145 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL6981931 0.97 HRH3 (0.39) HRH3SLC18A3CCR5ACHECARM1
SCHEMBL6976497 0.94 CARM1 (0.42) ACHECARM1PRMT6MAOAMAOB
SCHEMBL6979708 0.88 PRMT6 (0.43) CARM1PRMT6CCR3SIGMAR1
SCHEMBL8578232 0.86 SIGMAR1 (0.46) CCR3SIGMAR1
Hydrochloric Acid SCHEMBL6984012 0.85 SIGMAR1 (0.45) SIGMAR1
SCHEMBL6980208 0.82 CARM1 (0.43) HRH3CARM1PRMT6SIGMAR1
Hydrochloric Acid SCHEMBL6985853 0.81 DRD2 (0.40) SLC18A3CYP2D6CARM1PRMT6SIGMAR1
Hydrochloric Acid SCHEMBL6984760 0.81 DRD2 (0.40) SLC18A3CYP2D6CARM1PRMT6SIGMAR1
Hydrochloric Acid SCHEMBL6979051 0.81 LMNA (0.41) ACHESIGMAR1
SCHEMBL6974103 0.80 NPC1 (0.48) SIGMAR1OPRK1

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