SCHEMBL9867028

SCHEMBL9867028

COC(=O)CC1Cc2ccccc2N1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.48
NOTUM Q6P988 2/20 0.45
BCL2 P10415 1/20 0.44
BAD Q92934 1/20 0.44
MTNR1B P49286 1/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL25540044 0.78 MTNR1A (0.40) MTNR1ABCL2BADGAAALDH1A1
SCHEMBL7823659 0.77 PRKCD (0.49) MTNR1ANOTUMMTNR1B
SCHEMBL6099395 0.77 PRKCD (0.49) MTNR1ANOTUMMTNR1B
SCHEMBL23761367 0.77 PRKCD (0.49) MTNR1ANOTUMMTNR1B
SCHEMBL22248066 0.76 NOTUM (0.46) MTNR1ANOTUMMTNR1BGAAALDH1A1
SCHEMBL26208873 0.75 MTNR1A (0.42) MTNR1ANOTUMMTNR1B
SCHEMBL19337132 0.75 MTNR1A (0.46) MTNR1ANOTUM
SCHEMBL10193173 0.75 MTNR1A (0.46) MTNR1ANOTUM
SCHEMBL5847276 0.75 DRD2 (0.48) MTNR1ANOTUMMTNR1BGAAALDH1A1
SCHEMBL5847274 0.75 DRD2 (0.48) MTNR1ANOTUMMTNR1BGAAALDH1A1

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
US-5017584-A Antidepressant 2-(4,5-dihydro-1H-imidazolyl)-dihydro-1H-indoles, -1,2,3,4-tetrahydroquinolines and -1H-indoles, and methods of use thereas STERLING DRUG INC. (US) 1991-05-21 US disclosed