SCHEMBL29159601

SCHEMBL29159601

O=C(NC1CCC(N2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1)C1CC(O)c2cc(Cl)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 6/20 0.42
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PDE4B Q07343 3/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CNR1 P21554 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ FPR1 P21462 1/20 0.32
▸ FPR2 P25090 1/20 0.32

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
SCHEMBL22614034 1.00 ATF4 (0.42) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22614031 1.00 ATF4 (0.42) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29408940 1.00 ATF4 (0.42) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29409028 0.85 CCNC (0.36) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22613817 0.85 CCNC (0.36) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29159614 0.85 CCNC (0.36) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22614164 0.85 CCNC (0.36) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22613816 0.85 CCNC (0.36) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22614166 0.85 CCNC (0.36) ATF4CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29408908 0.85 CCNC (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117580824-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2024-02-20 — — CN disclosed
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