SCHEMBL30267496

SCHEMBL30267496

COc1ccc(C(=O)N2CCC3(CCNCC3)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRD O14764 3/20 0.51
▸ GABRA1 P14867 3/20 0.51
▸ GABRB1 P18505 3/20 0.51
▸ GABRA5 P31644 3/20 0.51
▸ GABRA3 P34903 3/20 0.51
▸ GABRA2 P47869 3/20 0.51
▸ GABRB2 P47870 3/20 0.51
▸ GABRA4 P48169 3/20 0.51
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ MLKL Q8NB16 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL21408866 1.00 GABRD (0.51) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL21409353 0.92 NR3C1 (0.41) GABRDGABRA1GABRB1GABRA5GABRA3
Hydrochloric Acid SCHEMBL31138071 0.91 NR3C1 (0.41) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL21408934 0.91 KCNH2 (0.44) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL25596253 0.91 NR3C1 (0.44) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL25904549 0.91 NR3C1 (0.44) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL24735010 0.91 NR3C1 (0.47) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL29841507 0.91 NR3C1 (0.47) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL26949210 0.90 GABRD (0.49) GABRDGABRA1GABRB1GABRA5GABRA3
Hydrochloric Acid SCHEMBL29841613 0.90 NR3C1 (0.46) NR3C1PGRSLC6A4KCNH2PDE3B

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
EP-4720044-A1 AROMATIC AMIDES AND CONJUGATES THEREOF AS BINDERS TO TEAD Beactica Therapeutics AB (SE) 2026-04-08 — — EP disclosed
WO-2024240840-A1 AROMATIC AMIDES AND CONJUGATES THEREOF AS BINDERS TO TEAD BEACTICA THERAPEUTICS AB (SE) 2024-11-28 — — WO disclosed
WO-2023025159-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海领泰生物医药科技有限公司 2023-03-02 — — WO disclosed
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