SCHEMBL30014459

SCHEMBL30014459

O=C(c1ccc(C2CCCNC2)cc1)N1CCC2(CCC(CN3CCNCC3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GABRD O14764 1/20 0.46
▸ GABRA1 P14867 1/20 0.46
▸ GABRB1 P18505 1/20 0.46
▸ GABRA5 P31644 1/20 0.46
▸ GABRA3 P34903 1/20 0.46
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ GABRA4 P48169 1/20 0.46
▸ NPC1L1 Q9UHC9 2/20 0.45
▸ L3MBTL3 Q96JM7 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TPSAB1 Q15661 1/20 0.41
▸ TPSD1 Q9BZJ3 1/20 0.41
▸ TPSG1 Q9NRR2 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40

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
SCHEMBL27123730 0.80 GABRD (0.43) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL27152792 0.73 ITGB3 (0.41) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30066211 0.72 HTR3A (0.37) —
SCHEMBL27138615 0.72 GABRD (0.38) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30816873 0.71 SOS1 (0.41) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30816878 0.71 GABRD (0.42) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30816881 0.71 GABRD (0.42) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30816866 0.71 GABRD (0.40) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL31697840 0.71 GABRD (0.42) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL30015104 0.71 FFAR4 (0.38) GABRDGABRA1GABRB1GABRA5GABRA3

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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