SCHEMBL7409377

SCHEMBL7409377

c1ccc2c3c([nH]c2c1)CC1CCCC3N1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.83
HTR6 P50406 1/20 0.52
RB1 P06400 2/20 0.42
MCHR1 Q99705 2/20 0.41
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
NR2E1 Q9Y466 1/20 0.40

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
SCHEMBL1445173 0.91 SIGMAR1 (1.00) SIGMAR1HTR6MCHR1HTR2AKCNH2
SCHEMBL2814660 0.80 SIGMAR1 (0.60) SIGMAR1HTR6RB1MCHR1
SCHEMBL7415387 0.80 SIGMAR1 (0.85) SIGMAR1HTR6
SCHEMBL2815101 0.74 SIGMAR1 (0.56) SIGMAR1HTR6MCHR1
SCHEMBL15869674 0.72 SIGMAR1 (0.45) SIGMAR1HTR6MCHR1
SCHEMBL15869675 0.72 SIGMAR1 (0.45) SIGMAR1HTR6MCHR1
SCHEMBL15869717 0.72 SIGMAR1 (0.45) SIGMAR1HTR6MCHR1
SCHEMBL7406069 0.71 SIGMAR1 (1.00) SIGMAR1HTR6MCHR1
SCHEMBL2814203 0.71 SIGMAR1 (0.71) SIGMAR1HTR6RB1MCHR1
Hydrochloric Acid SCHEMBL23828310 0.70 SIGMAR1 (0.69) SIGMAR1HTR6RB1MCHR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274307-B1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2015-07-29 EP disclosed
US-5250537-A Treating psychoses SCIOS NOVA INC. (US) 1993-10-05 US disclosed
US-5250537-A Treating psychoses SCIOS NOVA INC. (US) 1993-10-05 US disclosed