SCHEMBL7973688

SCHEMBL7973688

CCCNC(CCC)Cc1cccc2cc[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
BCHE P06276 2/20 0.35
AHR P35869 1/20 0.35
BACE1 P56817 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 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
SCHEMBL6023654 0.78 HTR1B (0.41) SIGMAR1HTR2CBCHE
Hydrochloric Acid SCHEMBL6023966 0.77 HTR1B (0.40) SIGMAR1HTR2CBCHE
SCHEMBL6024115 0.77 SIGMAR1 (0.47) SIGMAR1NR3C1PGRNR3C2
SCHEMBL2260650 0.74 HTR2A (0.55) NR3C1PGRNR3C2ARHTR2A
SCHEMBL1692142 0.73 GABRA1 (0.47) NR3C1PGRNR3C2ARHTR2A
SCHEMBL1452618 0.71 AHR (0.47) NR3C1PGRNR3C2ARHTR2A
SCHEMBL2260659 0.71 HTR2A (0.45) HTR2ABCHEAHR
SCHEMBL593512 0.70 AHR (0.50) NR3C1PGRNR3C2ARBCHE
SCHEMBL6024171 0.70 TAS1R3 (0.51) SIGMAR1TAS1R3TAS1R1AHRBACE1
SCHEMBL6023863 0.70 TAS1R3 (0.39) SIGMAR1TAS1R3TAS1R1HTR2AHTR2C

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
US-6214859-B1 PSYCHOLOGICAL DISORDERS; ALZHEIMER'S DISORDERS; PARKINSON'SDISORDERS FUJIMOTO BROTHERS CO., LTD. (JP) 2001-04-10 US disclosed
EP-0957080-A1 NOVEL ETHYLAMINE DERIVATIVES Fujimoto Brothers Co., Ltd. (JP) 1999-11-17 EP disclosed