SCHEMBL7412952

SCHEMBL7412952

CN(C)C1CCc2[nH]c3c(C(=O)OCc4ccc([N+](=O)[O-])cc4)cccc3c2C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 3/20 0.38
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
GFER P55789 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD2 P14416 1/20 0.36
PAX8 Q06710 1/20 0.36

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 0.88 BRD4 (0.41) RAB9AL3MBTL1ALDH1A1KMT2AGFER
SCHEMBL7417151 0.88 HTR1F (0.47) RAB9AL3MBTL1LMNANPC1GFER
Hydrochloric Acid SCHEMBL7407346 0.81 ALDH1A1 (0.44) ALDH1A1LMNAGFERALOX15MAPK1
SCHEMBL7407705 0.81 CHRM2 (0.39) ALDH1A1GFERMAPTALOX15MAPK1
SCHEMBL7409117 0.76 GFER (0.59) KMT2AGFERMAPTALOX15MAPK1
SCHEMBL7409296 0.76 HTR6 (0.41) MAPT
SCHEMBL7409533 0.75 MAPT (0.60) L3MBTL1NPC1MAPTMAPK1
Water SCHEMBL7414567 0.75 GFER (0.57) KMT2AGFERMAPTALOX15MAPK1
SCHEMBL7413250 0.75 GFER (0.45) GFERMAPTALOX15MAPK1CASP1
SCHEMBL7412016 0.73 HTR1F (0.40) RAB9ANPC1KMT2AMAPTMAPK1

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