SCHEMBL7415699

SCHEMBL7415699

CN(C)C1CCc2[nH]c3cc(C(=O)O)ccc3c2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
HTR1F P30939 1/20 0.57
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.44
HTR1B P28222 6/20 0.44
HTR1D P28221 4/20 0.43
HTR1A P08908 2/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MPL P40238 1/20 0.41

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
SCHEMBL6950544 0.90 KMT2A (0.72) KMT2AHTR1FMAPTHSD17B10POLB
SCHEMBL7406362 0.84 KMT2A (0.54) KMT2AHTR1FMAPTHSD17B10POLB
Hydrochloric Acid SCHEMBL7406750 0.83 KMT2A (0.53) KMT2AHTR1FMAPTHSD17B10POLB
SCHEMBL7407846 0.82 DRD2 (0.50) KMT2AHTR1FMAPTHSD17B10TDP1
Hydrochloric Acid SCHEMBL7409354 0.81 HTR1F (0.49) KMT2AHTR1FMAPTHSD17B10TDP1
SCHEMBL7407453 0.81 HTR1F (0.48) HTR1FL3MBTL1HTR1BHTR1D
SCHEMBL7657715 0.81 HTR1F (0.69) KMT2AHTR1FMAPTHSD17B10POLB
SCHEMBL7411673 0.80 HTR1F (0.48) KMT2AHTR1FMAPTHSD17B10TDP1
SCHEMBL7408494 0.80 HTR1F (0.58) HTR1FHTR1BHTR1DHTR1AHTR7
SCHEMBL7408142 0.79 HTR1F (0.47) KMT2AHTR1FMAPTHSD17B10POLB

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