SCHEMBL8975377

SCHEMBL8975377

CC(=O)NC#COc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.42
MTNR1B P49286 5/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
NAPRT Q6XQN6 1/20 0.39
RAB9A P51151 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.37
EPHX1 P07099 1/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX5 P09917 1/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL15234422 0.73 ELANE (0.40) MTNR1AMTNR1BMAPTALDH1A1L3MBTL1
SCHEMBL8975628 0.72 TSHR (0.45) MTNR1AMTNR1BMAPTALDH1A1L3MBTL1
SCHEMBL9654634 0.70 MTNR1A (0.40) MTNR1AMTNR1BMAPTALDH1A1L3MBTL1
SCHEMBL9421959 0.70 LTA4H (0.50) ALDH1A1L3MBTL1HSD17B10TSHRTDP1
SCHEMBL28100335 0.68 MTNR1A (0.39) MTNR1AMTNR1BMAPTALDH1A1L3MBTL1
SCHEMBL8975642 0.68 MAPT (0.40) MTNR1AMTNR1BMAPTALDH1A1L3MBTL1
SCHEMBL9330189 0.67 MAPT (0.36) MAPTALDH1A1TDP1GAA
SCHEMBL237878 0.66 CA4 (0.43) TSHR
SCHEMBL7391389 0.66 LTA4H (0.41) ALDH1A1L3MBTL1HSD17B10TSHRTDP1
SCHEMBL479411 0.66 LTA4H (0.41) MAPTALDH1A1HSD17B10TSHRTDP1

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-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed