SCHEMBL9198601

SCHEMBL9198601

CCCC(c1ccncc1)n1ccc2cc(C(NC(=O)O)c3ccccc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.59
SLC6A4 P31645 3/20 0.42
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
F10 P00742 1/20 0.37
ITGB3 P05106 4/20 0.37
ITGAV P06756 4/20 0.37
CYP19A1 P11511 1/20 0.37
ITGB5 P18084 2/20 0.37
CYP17A1 P05093 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL9192640 0.79 SLC6A2 (0.57) SLC6A2MAPTITGB3ITGAVLMNA
SCHEMBL9201233 0.77 SLC6A2 (0.70) SLC6A2SLC6A4ITGB3ITGAVCYP19A1
SCHEMBL8545162 0.77 SLC6A2 (0.57) SLC6A2
SCHEMBL9198615 0.77 SLC6A2 (0.59) SLC6A2SLC6A4ALDH1A1MAPTITGB3
SCHEMBL9200852 0.76 PPARG (0.46) F10CYP19A1
SCHEMBL8845768 0.76 SLC6A2 (0.68) SLC6A2SLC6A4ALDH1A1MAPTITGB3
SCHEMBL9195174 0.76 SLC6A2 (1.00) SLC6A2SLC6A4CYP17A1
Oxalic Acid SCHEMBL9196754 0.75 SLC6A2 (0.57) SLC6A2ITGB3ITGAVITGB5
SCHEMBL8845725 0.75 SLC6A2 (0.54) SLC6A2ITGB3ITGAVITGB5
SCHEMBL8544343 0.75 SLC6A2 (0.53) SLC6A2ALDH1A1LMNA

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-0471298-B1 Carbamoyl-1-(pyridinylalkyl)-1H-indoles, indolines and related analogs HOECHST ROUSSEL PHARMA (US) 1995-11-02 EP claimed