SCHEMBL2441868

SCHEMBL2441868

CCCN1CCN(CCCN(CC2CC2)C(=O)CCN(C(=O)O)C(C)(C)C)CC1Nc1ccnc2cc(Cl)ccc12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 4/20 0.57
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NSD2 O96028 1/20 0.37

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
SCHEMBL2447267 0.85 ANPEP (0.77) ANPEPMEN1KMT2A
SCHEMBL2441866 0.72 ANPEP (0.75) ANPEPMEN1KMT2A
SCHEMBL16751823 0.69 ANPEP (0.78) ANPEPMEN1KMT2A
SCHEMBL2443305 0.64 ANPEP (0.63) ANPEP
SCHEMBL9482297 0.62 HRH3 (0.51) ANPEPMEN1KMT2AKDM4EALDH1A1
SCHEMBL9480735 0.62 HRH3 (0.46) ANPEPMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9481001 0.62 HRH3 (0.50) ANPEPMEN1KMT2AKDM4EALDH1A1
SCHEMBL9480625 0.62 ANPEP (0.49) ANPEPMEN1KMT2AKDM4EALDH1A1
SCHEMBL29578653 0.60 KMT5B (0.71) MEN1KMT2AKDM4EALDH1A1NSD2
SCHEMBL1550555 0.60 KMT5B (0.71) MEN1KMT2AKDM4EALDH1A1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809288-B1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INST NAT SANTE RECH MED (FR) 2011-09-14 — — EP claimed
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