SCHEMBL8543725

SCHEMBL8543725

CCCN(c1ccncc1F)n1cc(C)c2cc(C(NC(=O)O)c3ccccc3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.63
SLC6A2 P23975 8/20 0.43
ACHE P22303 1/20 0.34
POLB P06746 1/20 0.34
ROCK2 O75116 3/20 0.33
MAPK1 P28482 1/20 0.32
TRPV1 Q8NER1 2/20 0.32

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
SCHEMBL8545074 0.86 SLC6A2 (0.60) BCHESLC6A2
SCHEMBL8544657 0.80 BCHE (0.72) BCHESLC6A2ACHEROCK2
SCHEMBL7609605 0.79 BCHE (0.68) BCHESLC6A2ACHE
Nerispirdine SCHEMBL3842518 0.79 SLC6A2 (0.67) BCHESLC6A2
Nerispirdine SCHEMBL3855895 0.78 SLC6A2 (0.65) BCHESLC6A2
SCHEMBL8543076 0.78 BCHE (0.66) BCHESLC6A2ACHE
SCHEMBL8543193 0.77 BCHE (0.73) BCHESLC6A2ACHE
SCHEMBL8543077 0.77 BCHE (0.68) BCHESLC6A2ACHE
SCHEMBL8544179 0.76 BCHE (0.64) BCHESLC6A2ACHE
SCHEMBL8544182 0.76 BCHE (0.67) BCHESLC6A2ACHE

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-0468401-B1 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-09-16 EP disclosed
EP-0468401-A2 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-29 EP disclosed