SCHEMBL30044501

SCHEMBL30044501

CCCCOC(=O)N1Cc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
P2RX7 Q99572 3/20 0.39
NPC1 O15118 1/20 0.38
TRPM2 O94759 1/20 0.38
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNK3 O14649 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
TRPC3 Q13507 1/20 0.35
TRPC7 Q9HCX4 1/20 0.35
RBP4 P02753 1/20 0.35

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
SCHEMBL29844187 0.82 MAPK1 (0.47) MAPK1BRD4CREBBPP2RX7NPC1
SCHEMBL30044769 0.80 SPTLC1 (0.49) BRD4CREBBPP2RX7TRPM2HPGD
SCHEMBL28818541 0.79 MAPK1 (0.49) MAPK1BRD4CREBBPP2RX7
SCHEMBL30045599 0.78 P2RX7 (0.40) BRD4CREBBPP2RX7TRPM2HPGD
SCHEMBL21995408 0.75 LMNA (0.42) MAPK1SMN1; SMN2HRH2HRH1
SCHEMBL2977256 0.73 MAPK1 (0.57) MAPK1BRD4CREBBPP2RX7NPC1
SCHEMBL2969795 0.73 MAPK1 (0.77) MAPK1BRD4CREBBPNPC1KCNK3
SCHEMBL6439340 0.70 NPC1 (0.53) MAPK1BRD4CREBBPNPC1
SCHEMBL30853597 0.70 RBP4 (0.56) RBP4
SCHEMBL30045088 0.69 MAPT (0.54) MAPK1NPC1HPGDSMN1; SMN2

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-4081509-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA Zydus Lifesciences Limited (IN) 2022-11-02 EP disclosed