SCHEMBL29600239

SCHEMBL29600239

C[C@@H](NC(CC1(C)CC1)C(N)=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.41
APAF1 O14727 1/20 0.40
MME P08473 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
ACP3 P15309 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL24323662 1.00 OPRK1 (0.41) OPRK1APAF1MMEHPGDLMNA
SCHEMBL24324037 0.89 APAF1 (0.45) APAF1MMEHPGDLMNAACP3
SCHEMBL26130206 0.82 MEN1 (0.43) OPRK1MEN1KMT2A
SCHEMBL24298290 0.82 MEN1 (0.43) OPRK1MEN1KMT2A
SCHEMBL17161710 0.79 MEN1 (0.53) APAF1MMEHPGDACP3MEN1
SCHEMBL1168970 0.77 POLB (0.49) APAF1MMEACP3MEN1KMT2A
SCHEMBL24323663 0.76 MAPT (0.43) MAPT
SCHEMBL31720718 0.75 MEN1 (0.43) OPRK1APAF1HPGDACP3MEN1
SCHEMBL24324589 0.75 SIGMAR1 (0.45) APAF1MMEHPGDLMNAACP3
SCHEMBL29059430 0.74 MEN1 (0.42) OPRK1MEN1KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 EP disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed