SCHEMBL26017542

SCHEMBL26017542

COc1ccc2sc3c(c2c1)CC[N@@]1CCC[C@@H]3C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 3/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ MAPKAPK5 Q8IW41 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ JUN P05412 1/20 0.35
▸ APP P05067 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALOX15 P16050 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
SCHEMBL26837235 0.81 DRD2 (0.39) MAPTNPC1ALDH1A1RAB9ADRD2
SCHEMBL26837612 0.75 HRH4 (0.41) MAPKAPK2TDP1MAPTKDM4ENPC1
SCHEMBL29736188 0.74 MAPKAPK2 (0.54) MAPKAPK2TDP1MAPTKDM4EALDH1A1
SCHEMBL26675972 0.74 MAPKAPK2 (0.54) MAPKAPK2TDP1MAPTKDM4EALDH1A1
SCHEMBL26837357 0.72 KDM4E (0.52) MAPKAPK2TDP1MAPTKDM4EALDH1A1
SCHEMBL26017358 0.67 DRD1 (0.48) MAPKAPK2CDK1TDP1MAPTKDM4E
SCHEMBL25429947 0.67 MAPKAPK2 (0.56) MAPKAPK2TDP1MAPTKDM4EALDH1A1
SCHEMBL31596344 0.67 MAPKAPK2 (0.56) MAPKAPK2TDP1MAPTKDM4EALDH1A1
SCHEMBL19630774 0.66 SLC6A4 (0.50) MAPKAPK2CDK1
SCHEMBL19630773 0.66 SLC6A4 (0.65) —

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-2023122135-A1 SEROTONIN RECEPTOR AGONISTS AND METHODS OF MAKING AND USING THE SAME KULEON LLC (US) 2023-06-29 — — WO disclosed
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