SCHEMBL1727561

SCHEMBL1727561

O=C(O)NC1CCN(c2ncccc2-c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP46A1 Q9Y6A2 2/20 0.46
MALT1 Q9UDY8 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TRPV1 Q8NER1 1/20 0.45
CKS1B P61024 3/20 0.45
SKP1 P63208 3/20 0.45
SKP2 Q13309 3/20 0.45
ACKR3 P25106 1/20 0.43
GAA P10253 1/20 0.43
P2RX7 Q99572 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 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
SCHEMBL1729840 0.90 KMT2A (0.45) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL3269143 0.82 CKS1B (0.42) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL5220685 0.82 MALT1 (0.64) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL1728915 0.82 KMT2A (0.50) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL1727773 0.81 P2RX7 (0.54) KMT2AMALT1CKS1BSKP1SKP2
SCHEMBL5220690 0.81 KDM4E (0.66) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL1730153 0.80 CHRM4 (0.52) MALT1P2RX7
SCHEMBL17844913 0.79 KMT2A (0.47) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL3216080 0.79 TRPV1 (0.69) TRPV1GAA
SCHEMBL3281568 0.78 ALDH1A1 (0.66) CYP1A2CYP2C9CYP2C19ALDH1A1

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-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed