SCHEMBL7410598

SCHEMBL7410598

CCCOc1ccc2[nH]c3c(c2c1)CC(N(C)C)CC3

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.63
HTR1B P28222 6/20 0.63
EGFR P00533 1/20 0.51
IGF1R P08069 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
HTR1F P30939 1/20 0.49
KMT2A Q03164 2/20 0.47
RAD52 P43351 1/20 0.47
ADRA1A P35348 2/20 0.44
MEN1 O00255 1/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39

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
SCHEMBL7457595 0.91 KMT2A (0.58) HTR1DHTR1BEGFRIGF1RFLT4
SCHEMBL7403551 0.84 HTR1D (0.69) HTR1DHTR1BKDRHTR1FKMT2A
SCHEMBL7143900 0.84 ADRA1A (0.49) HTR1DHTR1BEGFRIGF1RFLT4
Hydrochloric Acid SCHEMBL7413220 0.83 EGFR (0.50) HTR1DHTR1BEGFRIGF1RFLT4
SCHEMBL7415729 0.81 HTR1D (0.51) HTR1DHTR1BEGFRIGF1RFLT4
SCHEMBL7407748 0.81 HTR1D (0.51) HTR1DHTR1BHTR1FKMT2AMEN1
SCHEMBL9333462 0.80 HTR1B (0.93) HTR1DHTR1BEGFRIGF1RFLT4
Hydrochloric Acid SCHEMBL7406268 0.80 HTR1D (0.50) HTR1DHTR1BEGFRIGF1RFLT4
SCHEMBL7410152 0.80 HTR1D (0.50) HTR1DHTR1BEGFRIGF1RFLT4
SCHEMBL7412936 0.78 HTR1D (0.57) HTR1DHTR1BHTR1FKMT2AMEN1

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