SCHEMBL7341812

SCHEMBL7341812

CCOC(=O)COCCCOc1ccccc1N(C)C(=O)c1ccc(N)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.38
TSHR P16473 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SCN1A P35498 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
HIF1A Q16665 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
RAD52 P43351 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR4 Q13639 3/20 0.36

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
SCHEMBL7368763 0.90 RAB9A (0.43) RAB9AKMT2APOLBTSHRCYP1A2
SCHEMBL7339731 0.86 MAPT (0.41) RAB9APOLBMAPTSMN1; SMN2NPSR1
SCHEMBL7341165 0.81 KEAP1 (0.42) KMT2APOLBTSHRHTR4MCHR1
SCHEMBL7372406 0.78 THRA (0.40) TSHRCYP1A2CYP2D6SLC6A2SCN1A
SCHEMBL7335908 0.77 CYP1A2 (0.54) RAB9AKMT2ACYP1A2SLC6A3CYP3A4
SCHEMBL7370356 0.77 ALDH1A1 (0.48) RAB9AKMT2ATSHRCYP1A2CYP3A4
SCHEMBL7378739 0.77 MAPK1 (0.48) KMT2APOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL7374555 0.76 USP2 (0.45) RAB9APOLBCYP1A2CYP3A4MAPT
SCHEMBL7368668 0.76 ALDH1A1 (0.45) RAB9AKMT2APOLBMAPTSMN1; SMN2
SCHEMBL7378235 0.75 GPBAR1 (0.45) KMT2ATSHRSMN1; SMN2MEN1ALDH1A1

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-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed