SCHEMBL30281160

SCHEMBL30281160

N#Cc1ccc2c(c1)COC21CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 7/20 0.46
DRD3 P35462 4/20 0.44
DRD2 P14416 2/20 0.44
PNMT P11086 1/20 0.44
SLC6A4 P31645 9/20 0.40
SLC6A2 P23975 2/20 0.40
HTR2C P28335 2/20 0.40
ADRA1A P35348 2/20 0.40
HRH1 P35367 2/20 0.40
OPRM1 P35372 2/20 0.40
HTR2B P41595 2/20 0.40
KCNH2 Q12809 2/20 0.40
NPC1 O15118 1/20 0.40
SLC22A1 O15245 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
ACHE P22303 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
SCHEMBL12489240 1.00 FASN (0.46) FASNDRD3DRD2PNMTSLC6A4
SCHEMBL1275908 0.78 HTR2C (0.47) DRD2PNMTHTR2CHTR2BHTR2A
SCHEMBL737193 0.78 DPP4 (0.42) HTR2CHTR2ASIGMAR1
SCHEMBL30508182 0.78 PNMT (0.41) PNMTSLC6A4HTR2CHTR2BHTR2A
SCHEMBL3745717 0.78 AVPR1A (0.40) FASNOPRM1SIGMAR1KDM1A
Hydrochloric Acid SCHEMBL4985671 0.77 AVPR1A (0.39) FASNOPRM1SIGMAR1KDM1A
SCHEMBL4046452 0.75 SIGMAR1 (0.36) SIGMAR1CYP3A4CYP2D6CYP2C9ALOX15
SCHEMBL22648506 0.75 TDP2 (0.39) PNMTHTR2CHTR2BKCNH2HTR2A
SCHEMBL2817157 0.74 SLC6A4 (0.46) DRD3SLC6A4SLC6A2HTR2CADRA1A
SCHEMBL30187749 0.74 SLC6A4 (0.46) DRD3SLC6A4SLC6A2HTR2CADRA1A

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
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed