SCHEMBL7963784

SCHEMBL7963784

CN(C)CCCNc1nc2c(N)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
RIPK1 Q13546 1/20 0.46
TERT O14746 2/20 0.46
BCHE P06276 1/20 0.44
TRPC3 Q13507 1/20 0.44
TRPC4 Q9UBN4 1/20 0.44
TRPC5 Q9UL62 1/20 0.44
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
SLC2A1 P11166 1/20 0.41
APOBEC3A P31941 1/20 0.41
RAD52 P43351 1/20 0.41
RAB9A P51151 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TOP2A P11388 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
SCHEMBL7020507 0.92 CSNK2A2 (0.48) TSHRRIPK1TERTBCHETRPC3
SCHEMBL8492196 0.82 RIPK1 (0.46) TSHRRIPK1BCHETRPC3TRPC4
SCHEMBL7452468 0.82 TSHR (0.54) TSHRRIPK1BCHETRPC3TRPC4
SCHEMBL7964827 0.79 CHRM2 (0.52) TSHRRIPK1TERTBCHETRPC3
SCHEMBL30132388 0.79 CHEK1 (0.47) TSHRRIPK1BCHETRPC3TRPC4
SCHEMBL7475431 0.78 RIPK1 (0.48) TSHRRIPK1BCHETRPC3TRPC4
SCHEMBL7967546 0.73 CHEK1 (0.51) BCHEPOLBKMT2AL3MBTL1MEN1
SCHEMBL7963781 0.72 MEN1 (0.43) TERTBCHEPOLBKMT2ARAD52
SCHEMBL7016736 0.71 PKN1 (0.46) TSHRRIPK1TERTBCHEKMT2A
SCHEMBL7479051 0.70 CHEK1 (0.53) BCHEPOLBKMT2AL3MBTL1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed