SCHEMBL7837591

SCHEMBL7837591

O=[C]c1ccccc1C(=O)N1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.62
SIGMAR1 Q99720 1/20 0.56
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HSP90AA1 P07900 1/20 0.44
PARP1 P09874 3/20 0.44
ABCC1 P33527 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL28812724 0.86 RXFP1 (0.60) RXFP1SIGMAR1HRH4HRH3HSP90AA1
SCHEMBL8253848 0.84 RXFP1 (0.77) RXFP1SIGMAR1HRH4HRH3HSP90AA1
SCHEMBL7276196 0.81 GAA (0.59) KMT2AMEN1ALDH1A1TSHRHTT
SCHEMBL5555223 0.80 RXFP1 (0.66) RXFP1SIGMAR1HRH4HRH3HSP90AA1
SCHEMBL8256145 0.80 RXFP1 (0.70) RXFP1SIGMAR1HRH4HRH3HSP90AA1
SCHEMBL30417397 0.78 RXFP1 (0.68) RXFP1SIGMAR1HRH4HRH3HSP90AA1
SCHEMBL16026597 0.78 RXFP1 (0.68) RXFP1SIGMAR1HRH4HRH3ABCC1
SCHEMBL12522808 0.78 RXFP1 (0.68) RXFP1SIGMAR1HRH4HRH3HSP90AA1
Trifluoroacetic Acid SCHEMBL5255358 0.78 RXFP1 (0.51) RXFP1SIGMAR1ABCC1POLBALDH1A1
SCHEMBL4468180 0.77 RXFP1 (0.66) RXFP1SIGMAR1PARP1POLBKMT2A

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
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP claimed
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP disclosed