SCHEMBL21552596

SCHEMBL21552596

O=C1N[C@H](CCN2CCN(c3cccc(Cl)c3)CC2)CC12CC=CC2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
HTR7 P34969 6/20 0.51
HTR1A P08908 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
HTR2A P28223 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL31633370 1.00 KCNH2 (0.51) KCNH2HTR7HTR1ASIGMAR1HTR2A
SCHEMBL32677386 0.89 HTR1A (0.53) KCNH2HTR7HTR1AHTR2AHTR6
SCHEMBL31633369 0.88 HTR7 (0.49) KCNH2HTR7HTR1ASIGMAR1HTR2A
SCHEMBL21552597 0.88 HTR7 (0.49) KCNH2HTR7HTR1ASIGMAR1HTR2A
SCHEMBL21552678 0.88 HTR7 (0.49) KCNH2HTR7HTR1ASIGMAR1HTR2A
SCHEMBL32677385 0.88 HTR7 (0.49) KCNH2HTR7HTR1ASIGMAR1HTR2A
SCHEMBL21552618 0.88 HTR7 (0.49) KCNH2HTR7HTR1ASIGMAR1HTR2A
SCHEMBL29950431 0.88 HTR7 (0.49) KCNH2HTR7HTR1ASIGMAR1HTR2A
Hydrochloric Acid SCHEMBL23363931 0.87 HTR7 (0.48) KCNH2HTR7HTR1ASIGMAR1HTR2A
Hydrochloric Acid SCHEMBL23363929 0.87 HTR7 (0.48) KCNH2HTR7HTR1ASIGMAR1HTR2A

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-3790859-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE Temple University - Of The Commonwealth System of Higher Education (US) 2021-03-17 EP disclosed
WO-2019217890-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-11-14 WO disclosed