SCHEMBL6959648

SCHEMBL6959648

CN(C)CCN1C(=O)CN(C(=O)c2ccc(N)cc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.42
AVPR2 P30518 2/20 0.42
SLC6A4 P31645 3/20 0.41
HRH1 P35367 3/20 0.41
DRD2 P14416 3/20 0.41
HTR6 P50406 3/20 0.41
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
HTR7 P34969 2/20 0.41
LMNA P02545 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 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
SCHEMBL6970428 0.93 CYP2D6 (0.43) AVPR1AAVPR2SLC6A4HRH1DRD2
SCHEMBL6970673 0.89 AVPR2 (0.48) AVPR1AAVPR2SLC6A4HRH1DRD2
SCHEMBL6972375 0.84 KDM4E (0.43) SLC6A4HRH1DRD2HTR6HTR1A
SCHEMBL6969600 0.82 AVPR2 (0.46) AVPR1AAVPR2SLC6A4HRH1DRD2
SCHEMBL6967996 0.79 AVPR2 (0.47) AVPR1AAVPR2SLC6A4HRH1DRD2
SCHEMBL6969043 0.78 DRD3 (0.47) AVPR2SLC6A4HRH1DRD2HTR6
SCHEMBL6960675 0.77 AVPR2 (0.53) AVPR1AAVPR2
SCHEMBL6959586 0.76 HDAC1 (0.49) AVPR1AAVPR2KCNN4KCNA3HDAC1
SCHEMBL6960423 0.75 AVPR2 (0.58) AVPR1AAVPR2
SCHEMBL27352381 0.74 AVPR2 (0.40) AVPR1AAVPR2PHLPP2P2RX4CACNA1B

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