SCHEMBL29408908

SCHEMBL29408908

O=C(N[C@H]1CC[C@H](N2CCN(c3ccc(C(F)(F)F)nc3)C2=O)CC1)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ ATF4 P18848 3/20 0.35
▸ CHRM1 P11229 1/20 0.34
▸ FPR2 P25090 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ C3AR1 Q16581 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ FPR1 P21462 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PARP1 P09874 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
SCHEMBL22614164 1.00 CCNC (0.36) CCNCCDK8CYP1A2CYP3A4CYP2C9
SCHEMBL22613817 1.00 CCNC (0.36) CCNCCDK8CYP1A2CYP3A4CYP2C9
SCHEMBL22613816 1.00 CCNC (0.36) CCNCCDK8CYP1A2CYP3A4CYP2C9
SCHEMBL22614166 1.00 CCNC (0.36) CCNCCDK8CYP1A2CYP3A4CYP2C9
SCHEMBL29409028 1.00 CCNC (0.36) CCNCCDK8CYP1A2CYP3A4CYP2C9
SCHEMBL29159614 1.00 CCNC (0.36) CCNCCDK8CYP1A2CYP3A4CYP2C9
SCHEMBL29408940 0.85 ATF4 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19ATF4
SCHEMBL22614031 0.85 ATF4 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19ATF4
SCHEMBL22614034 0.85 ATF4 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19ATF4
SCHEMBL29159601 0.85 ATF4 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19ATF4

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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