SCHEMBL6970183

SCHEMBL6970183

CCCNc1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
FERMT2 Q96AC1 1/20 0.38
NTRK1 P04629 1/20 0.38
CHRNA7 P36544 2/20 0.38
DHFR P00374 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
IDO1 P14902 1/20 0.37
MPO P05164 1/20 0.36
TRPA1 O75762 1/20 0.36
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35

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
SCHEMBL1521870 0.84 PKM (0.45) MAPTMEN1HTTKMT2AALDH1A1
SCHEMBL3085200 0.83 MAPT (0.46) SMN1; SMN2MAPTMEN1HTTKMT2A
SCHEMBL20207677 0.82 SMN1; SMN2 (0.42) SMN1; SMN2MAPTMEN1HTTKMT2A
SCHEMBL19848697 0.81 CHRNA7 (0.39) SMN1; SMN2MAPTFERMT2CHRNA7PKM
SCHEMBL3631150 0.81 ALDH1A1 (0.42) ALDH1A1LMNAFERMT2CHRNA7HTR1D
SCHEMBL20376237 0.81 IDO1 (0.35) SMN1; SMN2MEN1KMT2AALDH1A1IDO1
SCHEMBL20201882 0.78 CASR (0.41) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL21324923 0.78 TRPV1 (0.38) MAPTALDH1A1HTR1DIDO1TRPA1
SCHEMBL18815188 0.77 IDO1 (0.39) MAPTALDH1A1FERMT2CHRNA7PKM
SCHEMBL18893409 0.77 KMT2A (0.41) SMN1; SMN2MEN1KMT2ALMNACHRNA7

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
EP-1021411-B1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LTD (GB) 2003-03-05 EP disclosed
US-6326386-B1 ANTICOAGULANT GLAXO GROUP LIMITED (GB) 2001-12-04 US disclosed
EP-1021411-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 2000-07-26 EP disclosed
WO-1997022589-A1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LIMITED (GB) 1997-06-26 WO disclosed