SCHEMBL23932280

SCHEMBL23932280

CC(C)(O)CN1C[C@H]2C[C@@H](Nc3ccc(-c4cc(F)ccc4Cl)nn3)C[C@H]2C1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 17/20 0.67
▸ CHRM2 P08172 11/20 0.67
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2B6 P20813 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ ACHE P22303 1/20 0.45
▸ IL1B P01584 2/20 0.43
▸ JAK1 P23458 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ TNF P01375 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
SCHEMBL23932285 1.00 CHRM4 (0.67) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23956990 1.00 CHRM4 (0.67) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23932282 1.00 CHRM4 (0.67) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23522929 0.88 CHRM4 (0.66) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23522927 0.88 CHRM4 (0.66) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23522930 0.88 CHRM4 (0.66) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL20937258 0.85 CHRM4 (0.69) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23522997 0.85 CHRM4 (0.69) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23523277 0.85 CHRM4 (0.70) CHRM4CHRM2CYP1A2CYP3A4CYP2B6
SCHEMBL23523278 0.85 CHRM4 (0.70) CHRM4CHRM2CYP1A2CYP3A4CYP2B6

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-4139302-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-03-01 — — EP claimed
WO-2021216949-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-10-28 — — WO claimed
EP-4139302-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 Vanderbilt University (US) 2023-03-01 — — EP disclosed
WO-2021216949-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2021-10-28 — — WO disclosed
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