SCHEMBL24323232

SCHEMBL24323232

CNC1(C)CC(C)(C(=O)NCCOc2cccc(F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.43
▸ MTNR1B P49286 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ F10 P00742 2/20 0.39

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
SCHEMBL24323244 0.79 ALDH1A1 (0.47) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3264491 0.76 MTNR1A (0.71) MTNR1AMTNR1BMAPTL3MBTL1ALDH1A1
SCHEMBL31483070 0.73 MTNR1A (0.51) MTNR1AMTNR1BPOLBMAPTSCN9A
SCHEMBL24322995 0.72 PPARD (0.58) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL2187414 0.71 MTNR1A (0.49) MTNR1AMTNR1BPOLBMAPTSMN1; SMN2
SCHEMBL13272286 0.71 HTR1B (0.61) ALDH1A1SMN1; SMN2MRGPRX4
SCHEMBL30756752 0.71 HTR1B (0.61) ALDH1A1SMN1; SMN2MRGPRX4
SCHEMBL24324190 0.70 ATF4 (0.52) KMT2AALDH1A1SMN1; SMN2
SCHEMBL21116381 0.69 TP53 (0.45) POLBMAPTMEN1KMT2AL3MBTL1
SCHEMBL19577393 0.68 ATF4 (0.56) ALDH1A1

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
EP-3452453-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-13 — — EP disclosed
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