SCHEMBL7923327

SCHEMBL7923327

Cc1cccc(C(=CCOCCO)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
GPR52 Q9Y2T5 1/20 0.37
POLB P06746 2/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.35
KCNK3 O14649 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35

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
SCHEMBL7923324 1.00 SMN1; SMN2 (0.39) SMN1; SMN2MTNR1AMTNR1BGPR52POLB
SCHEMBL7923366 0.86 SIGMAR1 (0.44) MTNR1AMTNR1BDRD2HTR2AHTR2C
SCHEMBL7923230 0.83 MTNR1A (0.56) SMN1; SMN2MTNR1AMTNR1BGPR52NPC1
SCHEMBL7923233 0.83 MTNR1A (0.56) SMN1; SMN2MTNR1AMTNR1BGPR52NPC1
SCHEMBL7926213 0.83 CACNA1B (0.42) SMN1; SMN2MTNR1AMTNR1BDRD2HTR2A
SCHEMBL7926216 0.83 CACNA1B (0.42) SMN1; SMN2MTNR1AMTNR1BDRD2HTR2A
SCHEMBL7928744 0.80 TBXAS1 (0.42) SMN1; SMN2POLBMEN1KCNK3KMT2A
SCHEMBL7928743 0.80 TBXAS1 (0.42) SMN1; SMN2POLBMEN1KCNK3KMT2A
SCHEMBL7925193 0.78 SLC6A1 (0.40) SMN1; SMN2DRD2HTR2AHTR2CHTR2B
SCHEMBL7925198 0.78 SLC6A1 (0.40) SMN1; SMN2DRD2HTR2AHTR2CHTR2B

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-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-0502031-B1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK AS (DK) 1997-08-20 EP 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