SCHEMBL7917360

SCHEMBL7917360

COc1cccc(C(=CCBr)c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.63
MTNR1B P49286 5/20 0.63
PDE4A P27815 3/20 0.50
PDE4B Q07343 3/20 0.50
PDE4C Q08493 3/20 0.50
PDE4D Q08499 3/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MAOB P27338 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PARP1 P09874 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
GPR52 Q9Y2T5 1/20 0.46
HSD11B1 P28845 1/20 0.46

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
SCHEMBL7917357 1.00 MTNR1A (0.63) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL7923055 0.84 MTNR1A (0.47) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL7923057 0.84 MTNR1A (0.47) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL28926790 0.81 MTNR1A (0.59) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL7535000 0.79 MTNR1A (0.47) MTNR1AMTNR1BCES2CES1
SCHEMBL7923787 0.79 SMN1; SMN2 (0.45) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL5999478 0.79 MTNR1A (0.60) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL7923784 0.79 SMN1; SMN2 (0.45) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL7923233 0.79 MTNR1A (0.56) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL7923230 0.79 MTNR1A (0.56) MTNR1AMTNR1BPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174898-B1 TREATING FILARIAE IN LYMPHATIC SYSTEM BY ADMINISTERING N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF N-SUBSTITUENT AND SALTS NOVO NORDISK A/S (DK) 2001-01-16 US disclosed
EP-0858339-A1 A METHOD OF TREATING FILARIAE NOVO NORDISK A/S (DK) 1998-08-19 EP disclosed
EP-0502031-B1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK AS (DK) 1997-08-20 EP disclosed
WO-1997017073-A1 A METHOD OF TREATING FILARIAE NOVO NORDISK A/S (DK) 1997-05-15 WO disclosed
US-5198451-A Treatment of epilepsy, inhibitors of gamma-aminobutyric acid uptake from synaptic cleft NOVO NORDISK A/S (DK) 1993-03-30 US disclosed
EP-0502031-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION. NOVO NORDISK AS (DK) 1992-09-09 EP disclosed
WO-1991007389-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK A/S (DK) 1991-05-30 WO disclosed