SCHEMBL30015004

SCHEMBL30015004

O=C1CCN(c2cc(C(=O)N3CCC(COCCC4CCNCC4)CC3)ccc2C(F)(F)F)C(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 2/20 0.38
▸ HSD11B1 P28845 2/20 0.35
▸ MGLL Q99685 3/20 0.35
▸ CTSS P25774 3/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SLC9A1 P19634 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ ST14 Q9Y5Y6 1/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ TPSAB1 Q15661 1/20 0.32
▸ TPSD1 Q9BZJ3 1/20 0.32
▸ TPSG1 Q9NRR2 1/20 0.32

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
SCHEMBL27137731 1.00 RBP4 (0.38) RBP4HSD11B1MGLLCTSSCYP3A4
SCHEMBL27137184 0.93 HSD11B1 (0.35) RBP4HSD11B1MGLLCYP2C9CYP2C19
SCHEMBL27148092 0.89 MGLL (0.38) RBP4HSD11B1MGLLPDK2
SCHEMBL30014591 0.89 MGLL (0.38) RBP4HSD11B1MGLLPDK2
SCHEMBL27123951 0.89 GPR119 (0.40) —
SCHEMBL31024405 0.89 GPR119 (0.40) —
SCHEMBL31697885 0.88 MGLL (0.39) RBP4HSD11B1MGLLTPSAB1TPSD1
SCHEMBL31697865 0.88 RBP4 (0.39) RBP4HSD11B1MGLLHTR7
SCHEMBL27123888 0.88 MGLL (0.39) RBP4HSD11B1MGLLTPSAB1TPSD1
SCHEMBL27137025 0.87 RBP4 (0.38) RBP4HSD11B1MGLLCYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022223034-A1 SOS1 DEGRADATION AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 — — WO disclosed
WO-2022223033-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 — — WO disclosed
WO-2022223039-A1 SOS1 DEGRADER, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 — — WO disclosed
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