SCHEMBL7399658

SCHEMBL7399658

CCON=Cc1ccccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 2/20 0.33
USP2 O75604 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL7399647 1.00 ADRA2B (0.42) ADRA2BADRA2AADRA2CALDH1A1HSD17B10
SCHEMBL12764020 0.79 SMN1; SMN2 (0.48) ADRA2BADRA2AADRA2CALDH1A1HSD17B10
SCHEMBL6734487 0.79 ALDH1A1 (0.40) ADRA2BADRA2AADRA2CALDH1A1HSD17B10
SCHEMBL12820840 0.79 ALDH1A1 (0.40) ADRA2BADRA2AADRA2CALDH1A1HSD17B10
SCHEMBL6734489 0.79 ALDH1A1 (0.40) ADRA2BADRA2AADRA2CALDH1A1HSD17B10
SCHEMBL9449496 0.78 ALDH1A1 (0.54) ALDH1A1HSD17B10MEN1KMT2ANPC1
SCHEMBL8449454 0.78 ADRA2A (0.42) ADRA2BADRA2AADRA2CALDH1A1HSD17B10
SCHEMBL13469231 0.78 ADRA2A (0.42) ADRA2BADRA2AADRA2CALDH1A1HSD17B10
SCHEMBL9449500 0.78 ALDH1A1 (0.54) ALDH1A1HSD17B10MEN1KMT2ANPC1
SCHEMBL7369994 0.76 CYP4F2 (0.44) ALDH1A1HSD17B10CYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5330990-A Antagonists of 5-HT and 5-HT3 receptors, psychological disorders, antinausea NOVO NORDISK A/S (DK) 1994-07-19 US disclosed
EP-0419397-B1 Substituted urea compounds and their preparation and use NOVO NORDISK AS (DK) 1994-06-08 EP disclosed
EP-0491770-A1 SUBSTITUTED UREA COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-01 EP disclosed
EP-0419397-A1 Substituted urea compounds and their preparation and use NOVO NORDISK A/S (DK) 1991-03-27 EP disclosed
WO-1991003475-A1 SUBSTITUTED UREA COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-03-21 WO disclosed