SCHEMBL7406362

SCHEMBL7406362

CCOC(=O)c1ccc2c3c([nH]c2c1)CCC(N(C)C)C3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
HTR1F P30939 1/20 0.52
KDM4E B2RXH2 5/20 0.49
MAPK1 P28482 4/20 0.49
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 3/20 0.49
ALOX15 P16050 2/20 0.49
MAPT P10636 4/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PARP1 P09874 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAD52 P43351 1/20 0.43
HCRTR1 O43613 2/20 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
Hydrochloric Acid SCHEMBL7406750 0.99 KMT2A (0.53) KMT2AMEN1RAB9ANPC1HTR1F
SCHEMBL7409636 0.92 KMT2A (0.65) KMT2AMEN1RAB9ANPC1HTR1F
SCHEMBL7408142 0.88 HTR1F (0.47) KMT2AMEN1RAB9ANPC1HTR1F
SCHEMBL7415699 0.84 KMT2A (0.58) KMT2AMEN1RAB9ANPC1HTR1F
SCHEMBL9148621 0.79 MEN1 (0.81) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL7414553 0.78 HTR1F (0.61) KMT2AMEN1RAB9ANPC1HTR1F
SCHEMBL7407453 0.78 HTR1F (0.48) HTR1FL3MBTL1
SCHEMBL7411673 0.77 HTR1F (0.48) KMT2AMEN1HTR1FKDM4EHSD17B10
SCHEMBL7407846 0.77 DRD2 (0.50) KMT2AMEN1HTR1FKDM4EMAPK1
SCHEMBL7409574 0.77 ALDH1A1 (0.45) HTR1FMAPK1HSD17B10ALDH1A1ALOX15

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