SCHEMBL29924716

SCHEMBL29924716

CCN(CC)CCCN1C(c2ccc(CN3CCCC3)cc2)=CN2c3ccccc3SC12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.42
▸ CHKA P35790 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ PTAFR P25105 2/20 0.33

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
SCHEMBL30085747 0.88 POLB (0.34) HRH3CHRM1HTR2ACYP2D6CYP2C19
SCHEMBL29925418 0.86 POLB (0.35) HRH3CHRM1HTR2ACYP2D6CYP2C19
SCHEMBL30085741 0.86 CACNA1C (0.41) HRH3CHRM1HTR2ACYP2D6CYP2C19
SCHEMBL29925189 0.85 SIGMAR1 (0.34) HRH3CHRM1HTR2ACYP2D6CYP2C19
SCHEMBL29924890 0.84 BCHE (0.32) HRH3CHRM1HTR2AKDM4EALDH1A1
SCHEMBL29924955 0.83 MEN1 (0.37) HRH3CHRM1HTR2AMEN1ALDH1A1
SCHEMBL30085762 0.82 BCHE (0.33) HRH3CHRM1HTR2ACYP2D6CYP2C19
SCHEMBL30085704 0.82 SMPD1 (0.37) HRH3CHRM1HTR2AMCHR1KDM4E
SCHEMBL30085734 0.82 KDM4E (0.38) HRH3CHRM1HTR2AKDM4EMEN1
SCHEMBL30085736 0.82 MAPK13 (0.36) HRH3CHRM1HTR2ACYP2D6CYP2C19

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-4274569-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER Anima Biotech Inc. (US) 2023-11-15 — — EP disclosed
WO-2022150316-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2022-07-14 — — WO disclosed
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