SCHEMBL7765126

SCHEMBL7765126

O=C(CCc1cnc[nH]1)NCCc1ccccc1

nearest known ligand 0.90

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
TSHR P16473 1/20 0.67
CYP2C19 P33261 1/20 0.67
LMNA P02545 1/20 0.65
HRH4 Q9H3N8 1/20 0.62
HRH2 P25021 1/20 0.60
TAAR1 Q96RJ0 1/20 0.59

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
SCHEMBL17481128 0.82 CYP3A4 (0.82) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL18381359 0.81 TBXAS1 (0.62) MEN1KMT2ACYP3A4CYP2D6TSHR
Carcinine SCHEMBL19051459 0.80 TSHR (1.00) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL18381205 0.80 CYP3A4 (0.74) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL17483163 0.80 CYP3A4 (0.78) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL17481134 0.80 CYP3A4 (0.78) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL18381401 0.80 TBXAS1 (0.65) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL21794919 0.79 NLN (0.67) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL7758645 0.79 MEN1 (0.60) MEN1KMT2A
Carcinine SCHEMBL20528864 0.79 LMNA (1.00) MEN1KMT2ACYP3A4CYP2D6TSHR

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
CN-1310629-A Combined administration of ACAT and MMP inhibitors for the treatment of atherosclerotic lesions WARNER LAMBERT CO (US) 2001-08-29 CN claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed