SCHEMBL7378158

SCHEMBL7378158

CCOC(=O)CCCCCOc1ncccc1N(C)C(=O)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.41
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAOA P21397 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TNF P01375 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
LTA4H P09960 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 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
SCHEMBL7368736 0.86 KMT2A (0.46) TBXAS1ALDH1A1NPC1RAB9AMAPT
SCHEMBL7340316 0.85 MAPT (0.40) TBXAS1ALDH1A1NPC1RAB9AMAPT
SCHEMBL7373263 0.85 TBXAS1 (0.41) TBXAS1ALDH1A1NPC1RAB9AMAPT
SCHEMBL7778250 0.80 RAB9A (0.39) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL7376764 0.79 PPARG (0.42) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL7369617 0.79 TBXAS1 (0.47) TBXAS1ALDH1A1TDP1LMNACYP1A2
SCHEMBL7378207 0.78 PTGDR2 (0.41) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL7370181 0.75 L3MBTL1 (0.38) TBXAS1ALDH1A1TDP1LMNACYP1A2
SCHEMBL7374555 0.73 USP2 (0.45) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL16147216 0.72 TBXAS1 (0.46) TBXAS1ALDH1A1TDP1CYP3A4PPARG

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 3 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
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed