SCHEMBL23615759

SCHEMBL23615759

O=C1C(O)c2ccccc2N1CCc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ HTR2A P28223 2/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ HTR6 P50406 4/20 0.46
▸ KCNH2 Q12809 3/20 0.46
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ GPR84 Q9NQS5 1/20 0.45
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP14 P50281 1/20 0.44

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
SCHEMBL23615790 0.86 MAPT (0.59) MAPTMEN1KMT2ATP53TDP1
SCHEMBL650217 0.78 MAPT (0.86) MAPTLMNAMEN1KMT2ATP53
SCHEMBL22761325 0.71 TP53 (0.55) MAPTLMNAMEN1KMT2ATP53
SCHEMBL22761105 0.71 ALOX5 (0.51) MAPTMEN1KMT2ATDP1GAA
SCHEMBL20582267 0.71 ALOX5 (0.51) MAPTMEN1KMT2ATDP1GAA
SCHEMBL23615744 0.70 TP53 (0.49) MAPTLMNAMEN1KMT2ATP53
SCHEMBL23615677 0.70 ALDH1A1 (0.50) MAPTLMNAMEN1KMT2ATP53
SCHEMBL22761324 0.70 ALDH1A1 (0.50) MAPTLMNAMEN1KMT2ATP53
SCHEMBL22761257 0.70 TP53 (0.49) MAPTLMNAMEN1KMT2ATP53
SCHEMBL29385380 0.69 ALDH1A1 (0.63) MAPTLMNAMEN1KMT2ASMN1; SMN2

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-3634957-B1 NMDA RECEPTOR MODULATORS, COMPOSITIONS COMPRISING SAME AND USE OF THESE COMPOUNDS IN THE TREATMENT OF DISEASES INVOLVING THE CENTRAL NERVOUS SYSTEM ADPUERIVITAM (FR) 2021-07-07 — — EP disclosed
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