SCHEMBL7335672

SCHEMBL7335672

CCOC(=O)CCCCCOc1ccccc1N(C)C(=O)c1ccc(NC(=O)c2ccccc2I)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
CNR1 P21554 1/20 0.43
SLC6A2 P23975 1/20 0.43
NPY1R P25929 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL7342536 0.89 KMT2A (0.44) KMT2AMLNRNR1I2NR3C1PGR
SCHEMBL7368737 0.88 RAB9A (0.43) KMT2AMLNRNR1I2NR3C1PGR
SCHEMBL7342936 0.87 SGMS2 (0.51) KMT2AMLNRNR1I2NR3C1PGR
SCHEMBL7376574 0.86 AVPR2 (0.42) KMT2AMLNRNR1I2NR3C1PGR
SCHEMBL7374760 0.85 AVPR2 (0.43) KMT2AMLNRNR1I2NR3C1PGR
SCHEMBL7336962 0.84 MAPT (0.50) KMT2AMLNRNR1I2NR3C1PGR
SCHEMBL7372350 0.83 AVPR2 (0.43) KMT2AAVPR2ALDH1A1LMNARAB9A
SCHEMBL7343269 0.82 AVPR2 (0.41) KMT2AMLNRNR1I2NR3C1PGR
SCHEMBL7370807 0.82 KMT2A (0.45) KMT2AMLNRNR1I2NR3C1PGR
SCHEMBL7345310 0.82 KMT2A (0.44) KMT2AMLNRNR1I2NR3C1PGR

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
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed