SCHEMBL29988906

SCHEMBL29988906

O=C(NCc1cc2cc(Cl)ccc2o1)[C@H]1CC[C@H](c2nnc(-c3cc4cc(Cl)ccc4o3)o2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MAPT P10636 1/20 0.39
TNKS O95271 4/20 0.39
PARP2 Q9UGN5 3/20 0.39
RAB9A P51151 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
PTGES O14684 4/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.35
ALOX15B O15296 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX2 P34913 1/20 0.34
PARP1 P09874 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
SCHEMBL29987930 0.91 ALDH1A1 (0.47) MTNR1AMTNR1BMAPTTNKSPARP2
SCHEMBL29988217 0.83 ALDH1A1 (0.41) TNKSPARP2RAB9AUSP2HPGD
SCHEMBL29988293 0.82 RAB9A (0.41) MAPTRAB9AUSP2HPGDTSHR
SCHEMBL29988247 0.81 MTNR1A (0.44) MTNR1AMTNR1BMAPTTNKSPARP2
SCHEMBL30578684 0.77 ALOX15B (0.44) MAPTRAB9AUSP2HPGDTSHR
SCHEMBL30685474 0.76 ALDH1A1 (0.59) RAB9AUSP2HPGDTSHRNPC1
SCHEMBL29082339 0.76 ALDH1A1 (0.41) MAPTTNKSPARP2RAB9AUSP2
SCHEMBL29082336 0.76 ALDH1A1 (0.41) MAPTTNKSPARP2RAB9AUSP2
SCHEMBL30578697 0.76 ALDH1A1 (0.41) MAPTRAB9AUSP2HPGDTSHR
SCHEMBL24998118 0.75 MTNR1A (0.51) MTNR1AMTNR1BRAB9AHPGDNPC1

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
WO-2022212902-A1 MODULATORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. (US) 2022-10-06 WO disclosed