SCHEMBL6985176

SCHEMBL6985176

CC1=C(C)C2=C(N)C(C)(CN3CC=C(c4cn(-c5ccccc5)c5ccccc45)CC3)CC2=C(C)O1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.39
HTR7 P34969 2/20 0.38
DRD2 P14416 3/20 0.36
HPGD P15428 1/20 0.34
KCNH2 Q12809 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
SCHEMBL6986313 0.81 KDM4E (0.53) HTR6DRD2
SCHEMBL6976687 0.79 KCNH2 (0.39) HTR6DRD2KCNH2
SCHEMBL6985174 0.74 HTR6 (0.39) HTR6HTR7DRD2HPGDKCNH2
SCHEMBL6983492 0.73 CHRNA7 (0.40) HTR7DRD2KCNH2
SCHEMBL6162425 0.70 HTR6 (0.67) HTR6HTR7DRD2
Hydrochloric Acid SCHEMBL6984760 0.69 DRD2 (0.40) HTR7DRD2
SCHEMBL8450188 0.68 HTR7 (0.44) HTR6HTR7DRD2HPGD
SCHEMBL8578232 0.67 SIGMAR1 (0.46)
SCHEMBL8573871 0.66 LMNA (0.42)
Hydrochloric Acid SCHEMBL6981674 0.64 SIGMAR1 (0.38) DRD2

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