SCHEMBL2560685

SCHEMBL2560685

[C-]#[N+]CCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
MAOB P27338 2/20 0.43
IDO1 P14902 6/20 0.42
AOC3 Q16853 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
MIF P14174 1/20 0.41
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.38
CYP2A6 P11509 1/20 0.38
AGXT P21549 2/20 0.38
SLC6A4 P31645 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL12401864 0.76 CHKA (0.41) TAAR1HTR3A
SCHEMBL7859899 0.76 ESR1 (0.59) TAAR1HTR3AIGF1RALOX15LMNA
SCHEMBL2561988 0.76 TAAR1 (0.50) TAAR1MAOBIDO1CYP2A6
SCHEMBL8200883 0.76 TAAR1 (0.50) TAAR1MAOBIDO1AOC3AGXT
SCHEMBL2135113 0.76 TAAR1 (0.68) TAAR1MAOBIDO1AOC3HTR3E
SCHEMBL1461571 0.75 ALDH1A1 (0.48) TAAR1MAOBIDO1AOC3ALOX15
SCHEMBL3538182 0.75 IDO1 (0.46) TAAR1MAOBIDO1AOC3LMNA
SCHEMBL2557874 0.74 TAAR1 (0.57) TAAR1IDO1AOC3HTR3EHTR3B
SCHEMBL130660 0.74 TAAR1 (0.59) TAAR1MAOBIDO1AOC3HTR3E
SCHEMBL4403991 0.71 KCNH2 (0.47) LMNA

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 9 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
WO-2009145721-A1 ISOINDOLINE DERIVATIVES COMPRISING PHENYL GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 WO disclosed
WO-2009145718-A1 ISOINDOLINE DERIVATIVES COMPRISING AN ADDITIONAL HETEROCYCLIC GROUP AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 WO disclosed