SCHEMBL31705055

SCHEMBL31705055

COC(=O)c1cc(C2=CCNCC2)cc(C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 3/20 0.44
▸ FTO Q9C0B1 1/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ HTR2C P28335 7/20 0.36
▸ TGFBR1 P36897 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ SLC6A3 Q01959 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL31706054 1.00 QDPR (0.44) QDPRFTOSIGMAR1HTR2CTGFBR1
SCHEMBL31706444 0.81 CHRM3 (0.46) HSD17B10SLC6A3KDM4E
SCHEMBL31704796 0.81 CHRM3 (0.46) HSD17B10SLC6A3KDM4E
SCHEMBL18715828 0.77 QDPR (0.56) QDPRSIGMAR1HTR2CNAMPTMAPKAPK2
SCHEMBL31705007 0.77 HTR2C (0.54) QDPRSIGMAR1HTR2CNAMPT
SCHEMBL3168588 0.77 HTR2C (0.54) QDPRSIGMAR1HTR2CNAMPT
SCHEMBL31704650 0.77 ATM (0.48) QDPRSIGMAR1HTR2CTGFBR1ACVR1
SCHEMBL31704615 0.77 TLR9 (0.44) QDPRSIGMAR1HTR2CHSD17B10SLC6A3
SCHEMBL31704607 0.77 TLR9 (0.44) QDPRSIGMAR1HTR2CHSD17B10SLC6A3
SCHEMBL4389273 0.77 CA12 (0.52) HSD17B10SLC6A3KDM4EALDH1A1

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
WO-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
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