SCHEMBL30014595

SCHEMBL30014595

O=C1CCN(c2cc(C(=O)N3CCC4(CCC(CCN5CCNCC5)CC4)CC3)ccc2Cl)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GABRD O14764 3/20 0.37
▸ GABRA1 P14867 3/20 0.37
▸ GABRB1 P18505 3/20 0.37
▸ GABRA5 P31644 3/20 0.37
▸ GABRA3 P34903 3/20 0.37
▸ GABRA2 P47869 3/20 0.37
▸ GABRB2 P47870 3/20 0.37
▸ GABRA4 P48169 3/20 0.37
▸ SOS1 Q07889 2/20 0.37
▸ SMYD3 Q9H7B4 2/20 0.36
▸ FFAR4 Q5NUL3 4/20 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
SCHEMBL27123549 1.00 GABRD (0.37) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30267230 0.92 HTT (0.39) SOS1FFAR4
SCHEMBL27123617 0.92 SOS1 (0.40) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL31677216 0.89 HTT (0.39) SMYD3
SCHEMBL27118484 0.88 FFAR4 (0.45) SOS1FFAR4
SCHEMBL29893498 0.88 FFAR4 (0.45) SOS1FFAR4
SCHEMBL27116870 0.87 SOS1 (0.43) SOS1SMYD3FFAR4
SCHEMBL31677169 0.87 HRH3 (0.38) SMYD3
SCHEMBL30864049 0.86 FFAR4 (0.40) SOS1FFAR4
SCHEMBL30014421 0.86 CYP2D6 (0.49) FFAR4

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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