SCHEMBL27147221

SCHEMBL27147221

O=C1CCN(c2cc(C(=O)N3CCC(COCCC4CCCCN4C(=O)O)CC3)ccc2C(F)(F)F)C(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 1/20 0.35
▸ AVPR1A P37288 1/20 0.35
▸ HCRTR1 O43613 2/20 0.34
▸ MGLL Q99685 1/20 0.32
▸ SPHK1 Q9NYA1 2/20 0.32
▸ HSD11B1 P28845 2/20 0.32
▸ PRSS1 P07477 2/20 0.32
▸ PRSS2 P07478 2/20 0.32
▸ PRSS3 P35030 2/20 0.32
▸ ST14 Q9Y5Y6 2/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ TIPARP Q7Z3E1 2/20 0.32
▸ F2 P00734 1/20 0.31
▸ SOS1 Q07889 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ RBP4 P02753 2/20 0.31
▸ SFRP1 Q8N474 1/20 0.31
▸ TTR P02766 1/20 0.31

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
SCHEMBL27137184 0.89 HSD11B1 (0.35) MGLLHSD11B1PRSS1PRSS2PRSS3
SCHEMBL27137731 0.85 RBP4 (0.38) MGLLHSD11B1PRSS1PRSS2PRSS3
SCHEMBL30015004 0.85 RBP4 (0.38) MGLLHSD11B1PRSS1PRSS2PRSS3
SCHEMBL27147218 0.83 DDB1 (0.35) MGLLHSD11B1HRH3
SCHEMBL31024405 0.83 GPR119 (0.40) —
SCHEMBL27123951 0.83 GPR119 (0.40) —
SCHEMBL30014759 0.79 MGLL (0.38) MGLLHSD11B1HRH3SOS1
SCHEMBL27141895 0.79 MGLL (0.38) MGLLHSD11B1HRH3SOS1
SCHEMBL29201746 0.78 MGLL (0.39) MGLLHSD11B1
SCHEMBL29281606 0.78 DDB1 (0.38) MGLL

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-4328219-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-02-28 — — EP disclosed
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