SCHEMBL9681534

SCHEMBL9681534

O=C1CCCCC1(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
KMT2A Q03164 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 4/20 0.36
GRM5 P41594 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
POLB P06746 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL9682068 0.80 GRIN2D (0.41) DDB1CRBNKMT2ACYP1A2CYP2C19
SCHEMBL4057756 0.73 LMNA (0.44) KMT2AGAAALDH1A1MEN1LMNA
SCHEMBL28270390 0.70 HRH1 (0.44) KMT2ACYP1A2CYP2C19GAALMNA
SCHEMBL8283151 0.69 GAA (0.50) KMT2ACYP1A2CYP2C19GAAALDH1A1
SCHEMBL28993648 0.68 HRH1 (0.42) KMT2ACYP1A2CYP2C19GAALMNA
SCHEMBL17033077 0.67 HRH3 (0.44) GAAALDH1A1LMNAALOX15POLB
SCHEMBL7915833 0.67 MAOA (0.50) GAALMNAHRH1
SCHEMBL29452029 0.67 MAOA (0.50) GAALMNAHRH1
SCHEMBL8050429 0.67 GAA (0.40) KMT2ACYP1A2CYP2C19GAAALDH1A1
SCHEMBL27053801 0.66 LMNA (0.60) GAALMNARAB9APOLBHRH1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5118697-A Acyl-coenzyme A: cholesterol acyltransferase inhibitors for reducing blood cholesterol levels WARNER-LAMBERT COMPANY (US) 1992-06-02 US disclosed