SCHEMBL31705614

SCHEMBL31705614

COC(=O)c1cncc(N2CCN(CC3COC3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.41
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ TSHR P16473 4/20 0.37
▸ HTT P42858 1/20 0.37
▸ PLOD2 O00469 1/20 0.37
▸ PLOD3 O60568 1/20 0.37
▸ PLOD1 Q02809 1/20 0.37
▸ DPP4 P27487 2/20 0.37
▸ DPP8 Q6V1X1 2/20 0.37
▸ DPP9 Q86TI2 2/20 0.37
▸ DPP7 Q9UHL4 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL31706095 0.86 CHRNB2 (0.38) KMT2ANPC1RAB9ABRAFPLOD2
Lithium Ion SCHEMBL31705412 0.84 CHRNB2 (0.37) BRAFPLOD2PLOD3PLOD1DPP4
Lithium Ion SCHEMBL31705364 0.84 CHRNB2 (0.37) BRAFPLOD2PLOD3PLOD1DPP4
SCHEMBL31705568 0.83 BRAF (0.41) ATMCYP11B1CYP11B2KMT2ANPC1
SCHEMBL31706644 0.83 BRAF (0.41) ATMCYP11B1CYP11B2KMT2ANPC1
SCHEMBL31705168 0.81 ATM (0.43) ATMCYP11B1CYP11B2KMT2ANPC1
SCHEMBL664858 0.79 ATM (0.50) ATMCYP11B1CYP11B2KMT2ANPC1
SCHEMBL31705753 0.77 KDM4E (0.36) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL3939071 0.76 ATM (0.53) ATMCYP11B1CYP11B2KMT2ANPC1
SCHEMBL31705087 0.75 TDP1 (0.48) ATMCYP11B1CYP11B2KMT2ANPC1

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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