SCHEMBL29913468

SCHEMBL29913468

Cc1ccc2c(n1)C(C)(C)CN2CC1CN(Cc2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.36
▸ FUCA1 P04066 2/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ NCF1 P14598 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ACHE P22303 1/20 0.33

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
SCHEMBL27228328 0.77 MAPK1 (0.41) CHRM4KDM4ETSHRACHE
SCHEMBL27228337 0.77 S1PR5 (0.43) GAACHRM4KDM4ETSHRMEN1
SCHEMBL29913632 0.76 CHRM3 (0.47) KDM4ETSHRACHE
SCHEMBL29913599 0.76 CHRM3 (0.47) KDM4ETSHRACHE
SCHEMBL27228408 0.75 GRIN2B (0.39) —
SCHEMBL27228264 0.75 UBE2M (0.37) GAACHRM4MEN1KMT2ALMNA
SCHEMBL27228263 0.75 UBE2M (0.37) GAACHRM4MEN1KMT2ALMNA
SCHEMBL29913488 0.74 CCR3 (0.45) HTR1ALMNAACHE
SCHEMBL27228597 0.72 CHRM4 (0.45) CHRM4
SCHEMBL27228388 0.71 FAAH (0.50) CHRM4TSHRMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305029-A1 NEW 2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE DERIVATIVES AS SIGMA LIGANDS Acondicionamiento Tarrasense (ES) 2024-01-17 — — EP disclosed
WO-2022189392-A1 NEW 2,3-DIHYDRO-1H-PYRROLO[3,2-b]PYRIDINE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2022-09-15 — — WO disclosed
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