SCHEMBL7378207

SCHEMBL7378207

CCOC(=O)CCCCCSc1ccccc1N(C)C(=O)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.41
PTGS2 P35354 7/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAOA P21397 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
NAMPT P43490 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7376368 0.86 ALDH1A1 (0.48) PTGDR2LMNAALDH1A1MAPTKMT2A
SCHEMBL7340316 0.81 MAPT (0.40) LMNACYP1A2CYP3A4MAOACYP4F2
SCHEMBL7373440 0.79 AVPR2 (0.41) LMNAL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL7379539 0.79 PTGDR2 (0.50) PTGDR2PTGS2CYP1A2CYP4F2CYP4A11
SCHEMBL7378158 0.78 TBXAS1 (0.41) LMNACYP1A2CYP3A4MAOACYP4F2
SCHEMBL7370181 0.75 L3MBTL1 (0.38) LMNACYP1A2CYP3A4MAOACYP4F2
SCHEMBL8158427 0.73 HSD17B10 (0.49) PTGDR2PTGS2CYP1A2CYP3A4CYP4F2
SCHEMBL7778250 0.73 RAB9A (0.39) LMNACYP1A2CYP3A4MAOAL3MBTL1
SCHEMBL7374555 0.73 USP2 (0.45) LMNACYP1A2CYP3A4MAOAL3MBTL1
SCHEMBL7374024 0.72 LMNA (0.55) LMNACYP1A2CYP3A4MAOAALDH1A1

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