SCHEMBL9867636

SCHEMBL9867636

CCOC(=O)C1Cc2cc(C(=O)c3ccccc3)ccc2N1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
TSHR P16473 3/20 0.51
NPC1 O15118 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALOX15 P16050 2/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 1/20 0.51
NR1D1 P20393 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9866691 0.81 LTA4H (0.47) NPSR1NR1D1
SCHEMBL4959583 0.81 NR1D1 (0.50) NR1D1TP53
SCHEMBL23343522 0.81 NR1D1 (0.50) NR1D1TP53
SCHEMBL9868101 0.79 ALDH1A1 (0.44) ALDH1A1HPGDTSHRNPC1MAPT
SCHEMBL4145687 0.79 MEN1 (0.41) ALDH1A1HPGDTSHRMAPTMAPK1
SCHEMBL4150077 0.72 ROCK1 (0.38) ALDH1A1HPGDMAPTHSD17B10NR1D1
SCHEMBL13077629 0.72 TSHR (0.46) ALDH1A1HPGDTSHRLMNAMAPT
SCHEMBL433888 0.71 MTNR1A (0.54) ALDH1A1TSHRLMNANR1D1
SCHEMBL14301648 0.70 NR1D1 (0.44) MAPTNR1D1TP53SMN1; SMN2
SCHEMBL23182808 0.70 NPC1 (0.48) NPC1RAB9A

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