SCHEMBL29409163

SCHEMBL29409163

N[C@H]1CC[C@H](N2CCN(c3cnc(C(F)F)cn3)C2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SCN9A Q15858 4/20 0.32
▸ GRM5 P41594 2/20 0.31

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
SCHEMBL22612357 1.00 TIPARP (0.33) TIPARPMAPK1SCN9AGRM5
SCHEMBL22612360 1.00 TIPARP (0.33) TIPARPMAPK1SCN9AGRM5
SCHEMBL22612368 0.82 TIPARP (0.34) TIPARPSCN9AGRM5
SCHEMBL22612370 0.82 TIPARP (0.34) TIPARPSCN9AGRM5
SCHEMBL31566196 0.82 TIPARP (0.34) TIPARPSCN9AGRM5
SCHEMBL22612355 0.82 GRM5 (0.37) MAPK1SCN9AGRM5
SCHEMBL22612358 0.82 GRM5 (0.37) MAPK1SCN9AGRM5
SCHEMBL22616381 0.77 TIPARP (0.32) TIPARP
SCHEMBL22622952 0.73 ALDH1A1 (0.45) —
SCHEMBL10801442 0.61 MAPK1 (0.39) MAPK1

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-4237413-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2023-09-06 — — EP disclosed
WO-2022094244-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-05-05 — — WO disclosed
EP-3962906-A1 SUBSTITUTED CYCLOALKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2022-03-09 — — EP disclosed
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