SCHEMBL8563047

SCHEMBL8563047

COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.51
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
TSHR P16473 2/20 0.45
GLA P06280 1/20 0.45
NAMPT P43490 1/20 0.44
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 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
SCHEMBL8557610 0.90 MAPT (0.52) AVPR1ARAB9AKDM4EMAPK1MAPT
SCHEMBL8559231 0.85 AVPR2 (0.49) AVPR1AKMT2A
SCHEMBL8563394 0.84 NPC1 (0.50) AVPR1ARAB9AKDM4EMAPTNAMPT
SCHEMBL8563203 0.84 MEN1 (0.47) KDM4EMAPK1GAAMAPTGFER
SCHEMBL8563279 0.83 AVPR2 (0.48) AVPR1AKMT2A
SCHEMBL8559901 0.81 AVPR2 (0.63) AVPR1A
SCHEMBL8562420 0.81 AVPR2 (0.46) AVPR1ARAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL8558298 0.80 AVPR2 (0.55) AVPR1A
SCHEMBL8556562 0.80 KCNK3 (0.44) AVPR1ANAMPT
SCHEMBL8562249 0.80 AVPR2 (0.45) AVPR1AMAPTTSHRNAMPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed