SCHEMBL7409396

SCHEMBL7409396

COc1cc2[nH]c3c(c2cc1OC)CC(O)CC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.47
HTR1D P28221 2/20 0.47
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK10 P53779 1/20 0.41
RIPK1 Q13546 1/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7412967 0.83 CHRM2 (0.48) HTR1BHTR1DKMT2AMEN1MAPK10
SCHEMBL11842321 0.81 CYP1A2 (0.48) HTR1BHTR1DKMT2AMEN1HTT
SCHEMBL4288837 0.81 HTR1D (0.72) HTR1BHTR1DKMT2AMEN1MAPT
SCHEMBL10748492 0.80 HTR1D (0.44) HTR1BHTR1DKMT2AMEN1MAPK10
SCHEMBL7402581 0.79 DRD2 (0.48) HTR1BHTR1DKMT2AMEN1SMN1; SMN2
SCHEMBL7410637 0.78 MTNR1A (0.53) HTR1BHTR1DKMT2AMEN1HTR1A
SCHEMBL11194808 0.78 HTR1D (0.45) HTR1BHTR1DKMT2AMEN1HTT
SCHEMBL10747389 0.78 HTR1D (0.43) HTR1BHTR1DKMT2AMEN1MAPK10
SCHEMBL7412705 0.75 L3MBTL1 (0.51) HTR1BHTR1DKMT2AMEN1SMN1; SMN2
SCHEMBL7409022 0.75 KMT2A (0.47) HTR1BHTR1DKMT2AMEN1HTT

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