SCHEMBL2555414

SCHEMBL2555414

NC(=O)c1ccccc1CN1CCCCC1C=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 1/20 0.42
NPC1 O15118 1/20 0.41
PARP1 P09874 4/20 0.40
FABP4 P15090 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.38
PREP P48147 1/20 0.36
TP53 P04637 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
PTPN11 Q06124 1/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL27677891 0.76 FAAH (0.49)
SCHEMBL15331772 0.76 PARP1 (0.46) BRD4PARP1ALDH1A1KDM4EOPRM1
SCHEMBL29955663 0.76 GAA (0.46) ALDH1A1OPRM1PARP2
SCHEMBL2774515 0.75 NPC1 (0.51) NPC1PARP1FABP4ALDH1A1KDM4E
SCHEMBL29955452 0.75 OPRK1 (0.40) ALDH1A1KDM4EOPRM1
SCHEMBL29955546 0.75 OPRK1 (0.42) OPRM1
SCHEMBL27657866 0.75 FAAH (0.48)
SCHEMBL29954932 0.74 ALDH1A1 (0.54) SMN1; SMN2BRD4FABP4ALDH1A1KDM4E
SCHEMBL2562106 0.74 CYP2D6 (0.45) SMN1; SMN2ALDH1A1OPRM1
SCHEMBL1300042 0.74 ALDH1A1 (0.46) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed