SCHEMBL7064744

SCHEMBL7064744

CCCN1CCC(c2cc([N+](=O)[O-])ccc2OC)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.60
MAPK1 P28482 2/20 0.58
MAPT P10636 2/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
DRD4 P21917 2/20 0.46
KMT2A Q03164 1/20 0.45
HTR2A P28223 1/20 0.45
HPGD P15428 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
SCHEMBL6824484 0.94 MAPK1 (0.54) DRD2MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL1531299 0.83 TDP1 (0.57) MAPK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6781971 0.81 MAPK1 (0.52) MAPK1MAPTALDH1A1SMN1; SMN2LMNA
Potassium Ion SCHEMBL6716540 0.80 MAPK1 (0.49) MAPK1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL6714799 0.80 MAPK1 (0.51) DRD2MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL25607591 0.78 LMNA (0.63) DRD2MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL4192847 0.77 MAPK1 (0.47) MAPK1ALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL6785307 0.77 HTR2C (0.54) MAPK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6824482 0.76 MAPK1 (0.47) MAPK1MAPTALDH1A1SMN1; SMN2LMNA
Bicarbonate SCHEMBL6919502 0.76 MAPK1 (0.47) MAPK1MAPTALDH1A1SMN1; SMN2LMNA

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
WO-2004010943-A2 SUBSTITUTED BENZANILIDES AS MODULATORS OF THE CCR5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 WO disclosed