SCHEMBL6969600

SCHEMBL6969600

CN(C)CCCN1C(=O)CCN(C(=O)c2ccc(N)cc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.46
AVPR1A P37288 2/20 0.46
LMNA P02545 4/20 0.43
HRH1 P35367 4/20 0.43
ALDH1A1 P00352 4/20 0.43
DRD2 P14416 4/20 0.43
SLC6A4 P31645 4/20 0.43
MAPT P10636 3/20 0.43
CYP2D6 P10635 3/20 0.43
CHRM1 P11229 3/20 0.43
SLC6A2 P23975 3/20 0.43
ADRA1A P35348 3/20 0.43
DRD3 P35462 3/20 0.43
SLC6A3 Q01959 3/20 0.43
KCNH2 Q12809 3/20 0.43
HTR1A P08908 3/20 0.43
HTR2A P28223 3/20 0.43
PRNP P04156 2/20 0.43
CHRM2 P08172 2/20 0.43
DRD1 P21728 2/20 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
SCHEMBL6970673 0.94 AVPR2 (0.48) AVPR2AVPR1ALMNAHRH1ALDH1A1
SCHEMBL6970428 0.89 CYP2D6 (0.43) AVPR2AVPR1ALMNAHRH1ALDH1A1
SCHEMBL6958687 0.86 DRD3 (0.46) AVPR2LMNAHRH1ALDH1A1DRD2
SCHEMBL6964588 0.83 AVPR2 (0.46) AVPR2AVPR1AALDH1A1DRD2CYP2D6
SCHEMBL6959648 0.82 AVPR1A (0.42) AVPR2AVPR1ALMNAHRH1ALDH1A1
SCHEMBL6957126 0.82 NOTUM (0.44) AVPR2AVPR1AALDH1A1MAPTSMN1; SMN2
SCHEMBL6972107 0.79 NOTUM (0.46) AVPR2AVPR1ALMNAALDH1A1MAPT
SCHEMBL6955542 0.79 ALDH1A1 (0.43) LMNAALDH1A1DRD2MAPTDRD3
SCHEMBL6968029 0.78 AVPR2 (0.61) AVPR2AVPR1ASLC6A4CHRM1ADRA1A
SCHEMBL6967260 0.78 AVPR2 (0.48) AVPR2AVPR1ALMNAALDH1A1SMN1; SMN2

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