SCHEMBL6966483

SCHEMBL6966483

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2cc(C)ccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 8/20 0.43
POLB P06746 1/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
PAX8 Q06710 1/20 0.40
PPARG P37231 1/20 0.39
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL6971802 0.96 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6969348 0.91 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6955643 0.90 L3MBTL1 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6970194 0.87 LMNA (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6969459 0.87 ALDH1A1 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1RAB9A
SCHEMBL6964153 0.86 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6965972 0.85 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6964263 0.85 ALDH1A1 (0.42) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL6970661 0.83 ALDH1A1 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1RAB9A
SCHEMBL6969398 0.83 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1POLBLMNA

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
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed