SCHEMBL8556384

SCHEMBL8556384

Cc1cccc(C)c1NC(=O)CN1CCN(CC(=O)O)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
ADRB1 P08588 2/20 0.60
CYP3A4 P08684 2/20 0.60
ADRA2A P08913 2/20 0.60
CYP2D6 P10635 2/20 0.60
ADRA2B P18089 2/20 0.60
ADRA2C P18825 2/20 0.60
ADRA1A P35348 2/20 0.60
DRD3 P35462 2/20 0.60
HTR2B P41595 2/20 0.60
KCNH2 Q12809 2/20 0.60
LMNA P02545 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
MLNR O43193 1/20 0.60
NR1I2 O75469 1/20 0.60
USP2 O75604 1/20 0.60
PGR P06401 1/20 0.60
ADORA3 P0DMS8 1/20 0.60

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
SCHEMBL2327539 0.94 ALDH1A1 (0.64) MEN1KMT2AADRB1CYP3A4ADRA2A
SCHEMBL6261397 0.88 ALOX15 (0.74) MEN1KMT2AADRB1CYP3A4ADRA2A
SCHEMBL26007622 0.88 ALDH1A1 (0.58) MEN1KMT2AADRB1CYP3A4ADRA2A
Pyrrocaine SCHEMBL25718 0.88 MEN1 (0.70) MEN1KMT2AADRB1CYP3A4ADRA2A
Pincainide SCHEMBL2110148 0.86 MEN1 (0.73) MEN1KMT2AADRB1CYP3A4ADRA2A
SCHEMBL2096761 0.86 MEN1 (0.73) MEN1KMT2AADRB1CYP3A4ADRA2A
SCHEMBL22407740 0.86 MEN1 (0.73) MEN1KMT2AADRB1CYP3A4ADRA2A
Pyrrocaine SCHEMBL10757216 0.86 MEN1 (0.68) MEN1KMT2AADRB1CYP3A4ADRA2A
SCHEMBL6277857 0.86 MEN1 (0.65) MEN1KMT2ALMNAALDH1A1POLB
Pyrrocaine SCHEMBL1651381 0.85 MEN1 (0.67) MEN1KMT2AADRB1CYP3A4ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0582164-B1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles BRISTOL MYERS SQUIBB CO (US) 1998-12-23 EP disclosed
US-5382584-A Antiischemic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-17 US disclosed
EP-0582164-A1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles Bristol-Myers Squibb Company (US) 1994-02-09 EP disclosed