SCHEMBL7360128

SCHEMBL7360128

N#Cc1ccc2c(c1)ncn2CC(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.69
MGLL Q99685 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
PRSS1 P07477 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
CCR3 P51677 1/20 0.44

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
SCHEMBL7367336 0.92 F2 (0.61) F2MGLLSMN1; SMN2LMNAALDH1A1
SCHEMBL7359608 0.82 F2 (0.68) F2MGLLALDH1A1KMT2AMEN1
SCHEMBL7367913 0.82 F2 (1.00) F2MGLLSMN1; SMN2LMNAALDH1A1
SCHEMBL8029555 0.78 F2 (0.53) F2MGLLSMN1; SMN2LMNAALDH1A1
SCHEMBL7364521 0.76 F2 (0.86) F2SMN1; SMN2LMNAALDH1A1PRSS1
SCHEMBL8035205 0.74 F2 (0.62) F2MGLLSMN1; SMN2ALDH1A1PRSS1
SCHEMBL7359275 0.73 F2 (0.74) F2MGLLSMN1; SMN2LMNAALDH1A1
SCHEMBL7359272 0.73 F2 (0.74) F2MGLLSMN1; SMN2LMNAALDH1A1
SCHEMBL19848448 0.73 CYP11B1 (0.60) SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL7367339 0.72 GRIN2B (0.53) MGLLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
US-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US disclosed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO disclosed