SCHEMBL7373263

SCHEMBL7373263

CCOC(=O)CCCCCOc1cccnc1N(C)C(=O)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.41
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
DHFR P00374 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.36
TNF P01375 3/20 0.36
PDE5A O76074 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
LTA4H P09960 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 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
SCHEMBL7340316 0.87 MAPT (0.40) TBXAS1NPC1MAPTRAB9AALDH1A1
SCHEMBL7373301 0.87 MAPK1 (0.45) TBXAS1NPC1MAPTRAB9AALDH1A1
SCHEMBL7378158 0.85 TBXAS1 (0.41) TBXAS1NPC1MAPTRAB9AALDH1A1
SCHEMBL7376281 0.79 AVPR2 (0.41) MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL7778250 0.79 RAB9A (0.39) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL7371527 0.78 TBXAS1 (0.47) TBXAS1MAPTHDAC6DHFRLMNA
SCHEMBL7337134 0.73 ALDH1A1 (0.49) MAPTALDH1A1LMNAL3MBTL1TDP1
SCHEMBL8161951 0.73 DHFR (0.51) TBXAS1NPC1RAB9ADHFRLMNA
SCHEMBL7374555 0.72 USP2 (0.45) NPC1MAPTRAB9AALDH1A1LMNA
SCHEMBL7368736 0.72 KMT2A (0.46) TBXAS1NPC1MAPTRAB9AALDH1A1

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 4 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
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed