SCHEMBL7749374

SCHEMBL7749374

CN(C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1)c1ccccc1OCCCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
PPARD Q03181 1/20 0.43
PPARG P37231 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.42
AVPR2 P30518 3/20 0.42
AVPR1A P37288 2/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
ADRB2 P07550 1/20 0.41

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
SCHEMBL7374300 0.95 KMT2A (0.45) GAAPOLBCHRNB2CHRNB4CHRNA3
SCHEMBL7373839 0.95 KMT2A (0.45) GAAPOLBCHRNB2CHRNB4CHRNA3
SCHEMBL7376733 0.95 KMT2A (0.45) GAAPOLBCHRNB2CHRNB4CHRNA3
SCHEMBL7369738 0.94 MEN1 (0.46) GAAPOLBCHRNB2CHRNB4CHRNA3
SCHEMBL7377924 0.91 MEN1 (0.46) GAAPOLBCHRNB2CHRNB4CHRNA3
SCHEMBL7368737 0.90 RAB9A (0.43) GAAPOLBCHRNB2CHRNB4CHRNA3
SCHEMBL7378099 0.89 L3MBTL1 (0.43) GAAPOLBCHRNB2CHRNB4CHRNA3
SCHEMBL7342536 0.88 KMT2A (0.44) PPARDALDH1A1RAB9AKMT2AAVPR2
SCHEMBL7378419 0.88 L3MBTL1 (0.42) GAAPOLBCHRNB2CHRNB4CHRNA3
SCHEMBL7373461 0.87 RECQL (0.42) GAAPOLBPPARGALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed