SCHEMBL29409140

SCHEMBL29409140

O=C(NC12CC(c3cnn(-c4ccc(Cl)c(F)c4)c3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 10/20 0.36
▸ PDE2A O00408 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ MAPK8 P45983 1/20 0.30
▸ MAPK10 P53779 1/20 0.30

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
SCHEMBL29409133 1.00 ATF4 (0.36) ATF4PDE2AIDO1CHRM1MAPK8
SCHEMBL22614213 1.00 ATF4 (0.36) ATF4PDE2AIDO1CHRM1MAPK8
SCHEMBL22614116 1.00 ATF4 (0.36) ATF4PDE2AIDO1CHRM1MAPK8
SCHEMBL29408932 0.91 ATF4 (0.38) ATF4IDO1CHRM1
SCHEMBL22613841 0.91 ATF4 (0.38) ATF4IDO1CHRM1
SCHEMBL22614525 0.91 ATF4 (0.38) ATF4IDO1CHRM1
SCHEMBL29409077 0.91 ATF4 (0.38) ATF4IDO1CHRM1
SCHEMBL24043473 0.89 ATF4 (0.33) ATF4MAPK8MAPK10
SCHEMBL22617387 0.89 ATF4 (0.33) ATF4MAPK8MAPK10
SCHEMBL29495415 0.89 ATF4 (0.33) ATF4MAPK8MAPK10

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-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
CN-114206848-A Substituted cycloalkyl compounds as modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-03-18 — — CN 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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