SCHEMBL25246747

SCHEMBL25246747

C#CCN(Cc1ccc(F)cc1)c1cc(C)c(NC(=O)CC(C)(C)C)c(SCC)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP2C8 P10632 1/20 0.59
CYP2B6 P20813 1/20 0.59
KCNQ4 P56696 4/20 0.49
KCNQ5 Q9NR82 3/20 0.48
KCNQ2 O43526 6/20 0.47
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PYCR1 P32322 2/20 0.34
RIPK1 Q13546 2/20 0.33
CETP P11597 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
SCHEMBL25287981 0.89 CYP1A2 (0.66) CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5
SCHEMBL30487333 0.86 CYP1A2 (0.80) CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5
SCHEMBL25774746 0.86 CYP1A2 (0.80) CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5
SCHEMBL25774737 0.82 CYP1A2 (0.57) CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5
SCHEMBL25247421 0.81 CYP1A2 (0.38) CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5
SCHEMBL19698784 0.79 CYP1A2 (0.54) CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5
SCHEMBL31020133 0.78 CYP1A2 (0.51) CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5
SCHEMBL25293405 0.77 CYP1A2 (0.53) CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5
SCHEMBL31019991 0.77 CYP1A2 (0.53) CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5
SCHEMBL25287942 0.76 CYP1A2 (0.66) CYP1A2CYP2C8CYP2B6KCNQ4KCNQ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119948023-A Regulator containing piperidine polycyclic derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-06 CN disclosed
CN-118451079-A Benzopiperidine derivative modulators, methods of preparation and uses thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed
WO-2024067819-A1 PIPERIDINE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翰森生物医药科技有限公司 2024-04-04 WO disclosed
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed