SCHEMBL29408865

SCHEMBL29408865

O=C1C[C@H](C(=O)NC2CCC(N3CCN(C4CC(OC(F)(F)F)C4)C3=O)CC2)Oc2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 5/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 3/20 0.36
CYP2D6 P10635 1/20 0.36
AR P10275 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 3/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
CCR1 P32246 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL22626131 1.00 ATF4 (0.41) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22614169 1.00 ATF4 (0.41) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22614168 0.85 ATF4 (0.44) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29408938 0.85 ATF4 (0.44) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22614170 0.85 ATF4 (0.44) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22614121 0.85 ATF4 (0.39) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29408876 0.85 ATF4 (0.39) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22614695 0.85 ATF4 (0.39) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22614506 0.82 ATF4 (0.42) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22614505 0.82 ATF4 (0.42) ATF4CYP1A2CYP3A4CYP2C9CYP2C19

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