SCHEMBL22616382

SCHEMBL22616382

FC(F)(F)c1ccc(I)cn1.O=C(O)N[C@H]1CC[C@H](N2CCN(c3ccc(C(F)(F)F)nc3)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ CHRM4 P08173 4/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ CYP3A5 P20815 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ FPR2 P25090 4/20 0.35
▸ FPR1 P21462 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PRSS1 P07477 1/20 0.34

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
SCHEMBL22614216 0.94 CCNC (0.40) CNR1CNR2CCNCCDK8CHRM4
SCHEMBL29409135 0.80 ALDH1A1 (0.45) CHRM4
SCHEMBL28723804 0.80 ALDH1A1 (0.45) CHRM4
SCHEMBL22612416 0.75 ATF4 (0.58) —
SCHEMBL22612418 0.75 ATF4 (0.58) —
SCHEMBL22616356 0.74 PDE4B (0.41) CHRM2F2F10
SCHEMBL22616354 0.74 PDE4B (0.41) CHRM2F2F10
SCHEMBL29409028 0.73 CCNC (0.36) CNR1CCNCCDK8CHRM4CYP3A4
SCHEMBL29159614 0.73 CCNC (0.36) CNR1CCNCCDK8CHRM4CYP3A4
SCHEMBL29408908 0.73 CCNC (0.36) CNR1CCNCCDK8CHRM4CYP3A4

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
EP-3962906-A1 SUBSTITUTED CYCLOALKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2022-03-09 — — EP disclosed
WO-2020223538-A1 SUBSTITUTED CYCLOALKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2020-11-05 — — WO disclosed
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