SCHEMBL7412227

SCHEMBL7412227

CN(C)C1CCc2[nH]c3ccc([N+](=O)[O-])cc3c2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
GFER P55789 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HTR1F P30939 1/20 0.53
BAZ2B Q9UIF8 1/20 0.52
SLC6A4 P31645 1/20 0.52
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
HTT P42858 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
RB1 P06400 1/20 0.44
HTR1D P28221 4/20 0.43
HTR1B P28222 4/20 0.43
OPRM1 P35372 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43

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
SCHEMBL6757984 0.84 KMT2A (0.64) MAPTKMT2AMEN1GFERSMN1; SMN2
SCHEMBL7653855 0.84 HTR1F (0.76) MAPTKMT2AMEN1GFERSMN1; SMN2
SCHEMBL8645214 0.81 MAPT (0.64) MAPTKMT2AMEN1GFERSMN1; SMN2
SCHEMBL7403681 0.80 HTR1F (0.56) KMT2AHTR1FBAZ2BSLC6A4LMNA
SCHEMBL7410347 0.80 HTR1F (0.54) MAPTKMT2AMEN1HTR1FLMNA
SCHEMBL6963427 0.79 HTR1F (0.58) KMT2AMEN1HTR1FHTR1DHTR1B
SCHEMBL7417626 0.79 HTR1F (0.55) KMT2ASMN1; SMN2HTR1FBAZ2BSLC6A4
SCHEMBL7407128 0.79 HTR1F (0.67) KMT2AHTR1FBAZ2BSLC6A4HTR1D
SCHEMBL7410109 0.79 HTR1F (0.55) KMT2AMEN1HTR1FBAZ2BHTR1D
SCHEMBL6964061 0.79 HTR1F (0.55) MAPTKMT2AHTR1FBAZ2BSLC6A4

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