SCHEMBL8073266

SCHEMBL8073266

COc1ccccc1OCCNCCCCNC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.59
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
ADRB2 P07550 2/20 0.48
HSD11B1 P28845 1/20 0.47
HTR1A P08908 3/20 0.47
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
ESR1 P03372 1/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL7122678 0.81 HTR1D (0.51) HTR1DKMT2AMEN1ALDH1A1HSD11B1
SCHEMBL7128499 0.77 KMT2A (0.54) KMT2AALDH1A1HSD17B10MTNR1AMTNR1B
SCHEMBL7121410 0.76 KMT2A (0.82) KMT2AMEN1ALDH1A1HSD17B10MTNR1A
SCHEMBL7129757 0.76 KMT2A (0.82) KMT2AMEN1ALDH1A1HSD17B10MTNR1A
SCHEMBL7129424 0.76 NPC1 (0.65) ALDH1A1HSD17B10MTNR1AMTNR1BADRB2
SCHEMBL8925143 0.74 HTR1D (1.00) HTR1DHTR1A
SCHEMBL8957615 0.73 HTR1D (0.94) HTR1DHTR1A
SCHEMBL6085448 0.72 SMN1; SMN2 (0.54) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL11740707 0.72 SMN1; SMN2 (0.73) KMT2AMEN1ALDH1A1HSD11B1LMNA
SCHEMBL12218242 0.71 HPGD (0.68) KMT2AMEN1ALDH1A1HSD11B1KDM4E

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-0820434-B1 PHENOXYETHYLAMINE DERIVATIVES HAVING HIGH AFFINITY FOR THE 5-HT 1A RECEPTOR, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SOD CONSEILS RECH APPLIC (FR) 2000-08-09 EP disclosed