SCHEMBL10469734

SCHEMBL10469734

COc1ccc2c(c1)CCCC2C(=O)N(C)CCO

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.46
GPR183 P32249 1/20 0.46
ADGRF1 Q5T601 1/20 0.46
GPR65 Q8IYL9 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
SLC6A9 P48067 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
KDM4C Q9H3R0 3/20 0.42

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
SCHEMBL10468835 0.85 C5AR1 (0.46) C5AR1GPR183ADGRF1GPR65TAS1R3
SCHEMBL10469093 0.84 C5AR1 (0.49) C5AR1GPR183ADGRF1GPR65MTNR1A
SCHEMBL9522314 0.84 C5AR1 (0.46) C5AR1GPR183ADGRF1GPR65TAS1R3
SCHEMBL10467188 0.80 MTNR1A (0.41) C5AR1GPR183ADGRF1GPR65SLC6A9
SCHEMBL10469822 0.80 ALDH1A1 (0.50)
SCHEMBL9523155 0.79 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL1844672 0.79 SIRT1 (0.53) TAS1R3TAS1R1TAS1R2SLC6A9KDM4C
SCHEMBL9523174 0.79 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2MTNR1BKDM4C
SCHEMBL14711226 0.78 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL10467836 0.78 SIRT1 (0.52) TAS1R3TAS1R1TAS1R2SLC6A9KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4957914-A ANTIDEPRESSANTS, ANXIOLYTICS, HYPOTENSIVE AGENTS SYNTEX (U.S.A.) INC. (US) 1990-09-18 US disclosed