SCHEMBL6962852

SCHEMBL6962852

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(N)cc2)c2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 6/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL6970661 0.89 ALDH1A1 (0.46) RAB9ASMN1; SMN2MAPTMEN1CYP1A2
SCHEMBL6969382 0.88 LMNA (0.55) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL6964153 0.87 SMN1; SMN2 (0.46) CA1CA2CA9CA14RAB9A
SCHEMBL6969797 0.87 LMNA (0.44) RAB9AMAPTMEN1CYP1A2KMT2A
SCHEMBL6960127 0.86 NPSR1 (0.49) RAB9ASMN1; SMN2MAPTMEN1CYP1A2
SCHEMBL6969459 0.85 ALDH1A1 (0.46) RAB9ASMN1; SMN2MAPTMEN1CYP1A2
SCHEMBL6967645 0.85 LOXL2 (0.40) RAB9AMEN1CYP1A2KMT2ALMNA
SCHEMBL6972651 0.81 ALDH1A1 (0.41) RAB9AMEN1THRBCYP2C19KMT2A
SCHEMBL6959155 0.79 LMNA (0.50) MAPTTHRBCYP2C19LMNAALDH1A1
SCHEMBL6968111 0.79 ALDH1A1 (0.43) RAB9ASMN1; SMN2MAPTMEN1CYP1A2

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