SCHEMBL1728655

SCHEMBL1728655

O=C(O)NCC1CCN(c2ncccc2Br)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.45
KMT2A Q03164 1/20 0.45
P2RX7 Q99572 1/20 0.44
LDHA P00338 1/20 0.43
CKS1B P61024 6/20 0.43
SKP1 P63208 6/20 0.43
SKP2 Q13309 6/20 0.43
GRIN2B Q13224 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM4 P08173 1/20 0.41
TRPV1 Q8NER1 2/20 0.40

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
SCHEMBL1730203 0.88 CHRM4 (0.51) MALT1KMT2ACHRM4
SCHEMBL1727773 0.83 P2RX7 (0.54) MALT1KMT2AP2RX7LDHACKS1B
SCHEMBL3270076 0.82 MALT1 (0.42) MALT1KMT2AP2RX7LDHACKS1B
SCHEMBL1727869 0.82 KDM4E (0.62) MALT1P2RX7LDHAKDM4EALDH1A1
SCHEMBL1728915 0.81 KMT2A (0.50) MALT1KMT2AKDM4EALDH1A1TRPV1
SCHEMBL1727778 0.79 P2RX7 (0.53) KMT2AP2RX7LDHACKS1BSKP1
SCHEMBL1728699 0.79 HRH4 (0.51) MALT1CKS1BSKP1SKP2KDM4E
SCHEMBL4879872 0.79 KDM4E (0.60) MALT1KMT2AKDM4EALDH1A1
SCHEMBL22776419 0.78 ALDH1A1 (0.52) CKS1BSKP1SKP2KDM4EALDH1A1
SCHEMBL4304306 0.76 ABL1 (0.48) CKS1BSKP1SKP2

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