SCHEMBL7415530

SCHEMBL7415530

O=C(OC1CCc2c(c3ccccc3n2Cc2ccc(Cl)cc2)C1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.50
PTGDR Q13258 1/20 0.50
HDAC6 Q9UBN7 7/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC10 Q969S8 4/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
FABP4 P15090 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
SCHEMBL7408065 0.94 HDAC6 (0.47) HDAC6HDAC1HDAC10CA1CA2
SCHEMBL9055755 0.82 CHRM2 (0.50) HDAC6HDAC1HDAC10CA1CA2
SCHEMBL7413011 0.80 PTGDR2 (0.46) TBXA2RPTGDRPTGDR2
SCHEMBL27475777 0.80 MEN1 (0.47) HDAC6HDAC1HDAC10CA1CA2
Hydrochloric Acid SCHEMBL7452433 0.79 PTGDR2 (0.45) TBXA2RPTGDRPTGDR2
SCHEMBL7416617 0.79 KMT2A (0.49)
SCHEMBL7408312 0.78 DRD2 (0.53) TBXA2RPTGDRHDAC6HDAC1PTGDR2
SCHEMBL7413587 0.78 CA1 (0.57) TBXA2RPTGDRHDAC6HDAC1HDAC10
SCHEMBL7409172 0.77 HDAC1 (0.42) HDAC6HDAC1PTGDR2FABP4
SCHEMBL7414266 0.75 PTGS1 (0.46) TBXA2RPTGDRCA1CA2PTGDR2

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-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 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