SCHEMBL9834622

SCHEMBL9834622

O=C(O)OC1CCCN(CCOC(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
SLC6A1 P30531 2/20 0.58
MEN1 O00255 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX15 P16050 1/20 0.58
KDM2B Q8NHM5 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
TAAR1 Q96RJ0 1/20 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
SCHEMBL9835310 0.87 CYP3A4 (0.55) CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL9836380 0.86 CYP3A4 (0.57) CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL9835428 0.86 CYP3A4 (0.47) CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL9834615 0.85 SLC6A1 (0.59) KMT2ASLC6A1MEN1CYP3A4CYP2C9
SCHEMBL9835572 0.83 SLC6A4 (0.45) CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL9837079 0.81 KDM4E (0.44) CYP3A4KDM2BSLC6A2SLC6A4SLC6A3
SCHEMBL9836009 0.81 CYP3A4 (0.53) CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL9836372 0.80 SLC6A4 (0.50) CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL9834327 0.74 MEN1 (0.74) KMT2ASLC6A1MEN1CYP3A4CYP2C9
SCHEMBL10692369 0.73 KMT2A (0.53) KMT2AMEN1

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
EP-0221572-B1 N-SUBSTITUTED 3-PIPERIDINE-OR 3-PYRIDINE-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF WARNER-LAMBERT COMPANY (US) 1991-09-25 EP claimed