SCHEMBL9596806

SCHEMBL9596806

NC(CCCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Cc1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.51
▸ HTR2A P28223 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MPO P05164 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ADRB1 P08588 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR1E P28566 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
SCHEMBL9596924 0.83 MAPT (0.67) MAPTHTR2ATDP1KMT2AMEN1
SCHEMBL9603353 0.83 HTR2A (0.48) MAPTHTR2ATDP1KMT2AMEN1
SCHEMBL9517210 0.82 MAPT (0.42) MAPTHTR2ATDP1HTR1AALDH1A1
Oxalic Acid SCHEMBL9613886 0.79 MAPT (0.61) MAPTHTR2ATDP1KMT2AMEN1
SCHEMBL7863739 0.72 HTR2A (0.68) MAPTHTR2ATDP1KMT2AMEN1
SCHEMBL19134209 0.72 HTR2A (0.68) MAPTHTR2ATDP1KMT2AMEN1
SCHEMBL19134154 0.72 HTR2A (0.68) MAPTHTR2ATDP1KMT2AMEN1
SCHEMBL9517255 0.72 SMN1; SMN2 (0.50) MAPTHTR2AKMT2AMEN1LMNA
SCHEMBL28417220 0.71 HTR2A (0.71) MAPTHTR2ATDP1KMT2AMEN1
SCHEMBL25811714 0.71 HTR2A (0.67) MAPTHTR2ATDP1KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250538-A Treating CNS disorders; antiserotinin agents NOVO NORDISK A/S (DK) 1993-10-05 — — US disclosed
US-5126363-A Central nervous system disorders NOVO NORDISK A/S (DK) 1992-06-30 — — US disclosed
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