SCHEMBL11077433

SCHEMBL11077433

CN(C)CCCC1(c2ccccc2)CCc2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
UTS2R Q9UKP6 7/20 0.39
SLC6A4 P31645 3/20 0.39
SIGMAR1 Q99720 1/20 0.39
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
MAPT P10636 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
CACNA1F O60840 1/20 0.37
SLC22A3 O75751 1/20 0.37
HTR3B O95264 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PRNP P04156 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM5 P08912 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL11074440 0.86 AKT1 (0.46) LMNAUTS2RSLC6A4HTR7KCNH2
SCHEMBL11075657 0.82 LMNA (0.42) LMNAUTS2RSLC6A4DRD2HTR2A
SCHEMBL29165243 0.76 SIGMAR1 (0.39) LMNASIGMAR1DRD2HTR2AALDH1A1
SCHEMBL19995132 0.76 SIGMAR1 (0.44) LMNASIGMAR1DRD2HTR2ACYP2D6
SCHEMBL31429831 0.72 SIGMAR1 (0.39) LMNASIGMAR1DRD2HTR2ACYP2D6
SCHEMBL11274144 0.71 SIGMAR1 (0.42) SLC6A4SIGMAR1DRD2HTR2ASLC6A2
SCHEMBL11074383 0.71 SMN1; SMN2 (0.40) LMNASLC6A4SIGMAR1DRD2HTR2A
SCHEMBL9113086 0.70 SIGMAR1 (0.46) SIGMAR1DRD2HTR2AHTR2CADRA1A
SCHEMBL28798029 0.69 SIGMAR1 (0.39) SIGMAR1DRD2HTR2AMAPTALDH1A1
SCHEMBL11220183 0.67 HSD11B1 (0.46) SIGMAR1DRD2HTR2AALDH1A1ADRA1A

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
US-4452801-A ANTIINFLAMMATORY AGENTS, ANTICOAGULATNS, ANTIALLERGENS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-06-05 US disclosed
US-4360532-A ANTIINFLAMMATORY AGENTS, ANTICOAGULANTS, ANTIALLERGENS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-11-23 US disclosed
US-4321270-A ANTIINFLAMMATORY AGENT, ANTIAGGLOMERANTS, AND HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-03-23 US disclosed