SCHEMBL3837323

SCHEMBL3837323

O=C(O)C1=CCCN(CCN2CCN(CCO)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.53
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
BLM P54132 2/20 0.50
PMP22 Q01453 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL3842824 0.95 SLC6A1 (0.57) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL3862550 0.87 SLC6A1 (0.53) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL3843644 0.85 SLC6A1 (0.55) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL6551383 0.83 SLC6A1 (0.52) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL4514388 0.82 LMNA (0.59) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL3841814 0.80 SLC6A1 (0.56) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL3840294 0.76 SLC6A1 (0.52) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL4509743 0.76 LMNA (0.64) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL9562561 0.76 SLC6A1 (0.51) SLC6A1KMT2AKDM4EALDH1A1LMNA
SCHEMBL3837798 0.75 KMT2A (0.50) SLC6A1KMT2AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931341-B1 1H-INDOLE-PYRIDINECARBOXAMIDE AND 1H-INDOLE-PIPERIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS TYROSINE HYDROXYLASE INDUCERS SERVIER LAB (FR) 2009-11-04 EP disclosed
CN-101257905-A Novel 1h-indole-pyridinecarboxamide derivatives and 1h-indole-piperidinecarboxamide and their use as hydroxalase tyrosine inducers SERVIER LAB (FR) 2008-09-03 CN disclosed