SCHEMBL7411338

SCHEMBL7411338

CCOC(=O)Cn1c2c(c3ccccc31)CC(N(C)C)CC2

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
LMNA P02545 1/20 0.58
PTGDR2 Q9Y5Y4 7/20 0.56
TBXA2R P21731 3/20 0.55
PTGDR Q13258 3/20 0.55
HTR6 P50406 7/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
Hydrochloric Acid SCHEMBL7404475 0.99 KDM4E (0.60) KDM4ELMNAPTGDR2TBXA2RPTGDR
SCHEMBL7413263 0.89 PTGDR2 (0.56) KDM4ELMNAPTGDR2TBXA2RPTGDR
SCHEMBL7409304 0.89 PTGDR2 (0.55) KDM4ELMNAPTGDR2TBXA2RPTGDR
Hydrochloric Acid SCHEMBL7412317 0.89 PTGDR2 (0.55) KDM4ELMNAPTGDR2TBXA2RPTGDR
SCHEMBL27989288 0.86 KDM4E (0.59) KDM4ELMNAPTGDR2TBXA2RPTGDR
SCHEMBL2313013 0.86 KDM4E (0.59) KDM4ELMNAPTGDR2TBXA2RPTGDR
SCHEMBL7409341 0.85 PTGDR2 (0.72) KDM4EPTGDR2TBXA2RPTGDRHTR6
SCHEMBL7411114 0.85 PTGDR2 (0.54) KDM4ELMNAPTGDR2TBXA2RPTGDR
Bromide SCHEMBL2430564 0.85 KDM4E (0.58) KDM4ELMNAPTGDR2TBXA2RPTGDR
Hydrochloric Acid SCHEMBL27883098 0.85 KDM4E (0.61) KDM4ELMNAPTGDR2TBXA2RPTGDR

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 5 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 claimed
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