SCHEMBL7748693

SCHEMBL7748693

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ncccc3OCCCCCC(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
FABP4 P15090 1/20 0.41
PPARD Q03181 1/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LTB4R Q15722 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL7376281 0.91 AVPR2 (0.41) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7373839 0.90 KMT2A (0.45) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7376733 0.90 KMT2A (0.45) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7374300 0.90 KMT2A (0.45) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7369738 0.89 MEN1 (0.46) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7372923 0.89 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7378349 0.87 AVPR2 (0.44) GAA
SCHEMBL7378419 0.87 L3MBTL1 (0.42) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7377924 0.87 MEN1 (0.46) MEN1KMT2ASMN1; SMN2MAPTNPSR1
SCHEMBL7378099 0.86 L3MBTL1 (0.43) MEN1KMT2ASMN1; SMN2MAPTNPSR1

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