SCHEMBL7417151

SCHEMBL7417151

CN(C)C1CCc2[nH]c3c(C(=O)OCc4ccc(F)cc4)cccc3c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.47
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
GFER P55789 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGDR Q13258 4/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.37
TBXA2R P21731 3/20 0.37
HTR6 P50406 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7417232 0.92 BRD4 (0.41) HTR1FMMP1MMP2MMP9MMP12
SCHEMBL7412952 0.88 RAB9A (0.45) LMNAGFERALOX15MAPK1CASP1
SCHEMBL7409574 0.85 ALDH1A1 (0.45) HTR1FLMNAGFERALOX15MAPK1
Hydrochloric Acid SCHEMBL7407346 0.84 ALDH1A1 (0.44) HTR1FKDM4ELMNAGFERALOX15
SCHEMBL7407705 0.84 CHRM2 (0.39) HTR1FGFERALOX15MAPK1CASP1
SCHEMBL7409117 0.79 GFER (0.59) HTR1FKDM4EGFERALOX15MAPK1
SCHEMBL7409296 0.78 HTR6 (0.41) HTR1FPTGDR2HTR6TP53
Water SCHEMBL7414567 0.78 GFER (0.57) HTR1FKDM4EGFERALOX15MAPK1
SCHEMBL7410680 0.78 ALOX15 (0.60) HTR1FGFERALOX15MAPK1CASP1
SCHEMBL7413250 0.78 GFER (0.45) HTR1FGFERALOX15MAPK1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed