SCHEMBL15330733

SCHEMBL15330733

NC1CCCN(CCC=O)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.36
SLC6A1 P30531 5/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BCHE P06276 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL2560134 0.89 HRH2 (0.38)
SCHEMBL2228489 0.81 PTPN11 (0.32) PTPN11
SCHEMBL31124157 0.78 SLC6A1 (0.35) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL2560473 0.78 KDM4E (0.44) ALDH1A1LMNACYP2C19
SCHEMBL2553801 0.78 ALDH1A1 (0.44) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL2558774 0.76 GNAI3 (0.46)
SCHEMBL11615213 0.76 ALOX15 (0.44) PTPN11BCHEDRD2DRD1DRD4
SCHEMBL2560038 0.76 BCHE (0.60) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL29955851 0.75 CYP2D6 (0.42) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL2561458 0.75 BCHE (0.40) SLC6A1CYP1A2CYP2D6CYP2C9TSHR

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 5 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