SCHEMBL6970673

SCHEMBL6970673

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.48
AVPR1A P37288 4/20 0.48
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A4 P31645 2/20 0.40
HRH1 P35367 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 2/20 0.40
DRD2 P14416 2/20 0.40
HTR6 P50406 2/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 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
SCHEMBL6969600 0.94 AVPR2 (0.46) AVPR2AVPR1ARAB9ASMN1; SMN2NPC1
SCHEMBL6959648 0.89 AVPR1A (0.42) AVPR2AVPR1AHPGDALDH1A1LMNA
SCHEMBL6955542 0.85 ALDH1A1 (0.43) RAB9ANPC1HPGDKMT2AALDH1A1
SCHEMBL6970428 0.82 CYP2D6 (0.43) AVPR2AVPR1ASMN1; SMN2HPGDKMT2A
SCHEMBL6972107 0.81 NOTUM (0.46) AVPR2AVPR1ARAB9ASMN1; SMN2NPC1
SCHEMBL6964588 0.81 AVPR2 (0.46) AVPR2AVPR1ARAB9ASMN1; SMN2NPC1
SCHEMBL6967260 0.80 AVPR2 (0.48) AVPR2AVPR1ARAB9ASMN1; SMN2NPC1
SCHEMBL6958687 0.79 DRD3 (0.46) AVPR2HPGDKMT2AALDH1A1LMNA
SCHEMBL6957126 0.79 NOTUM (0.44) AVPR2AVPR1ARAB9ASMN1; SMN2NPC1
SCHEMBL6960127 0.78 NPSR1 (0.49) AVPR2AVPR1ARAB9ASMN1; SMN2NPC1

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