SCHEMBL4751067

SCHEMBL4751067

CC1(C)Cc2cc([N+](=O)[O-])cc(OCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2O1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
ABCB1 P08183 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 3/20 0.47
ENPP2 Q13822 3/20 0.46
HTR4 Q13639 1/20 0.44
HTR2A P28223 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL4754290 0.86 HTR1A (0.50) HTR7ABCB1ALDH1A1LMNASMN1; SMN2
SCHEMBL4863289 0.85 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2DRD2HTR2A
SCHEMBL4789257 0.84 SMN1; SMN2 (0.49) ABCB1ALDH1A1LMNASMN1; SMN2ENPP2
SCHEMBL4908879 0.80 HTR7 (0.50) HTR7ABCB1DRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL4788931 0.73 GAA (0.53) HTR7ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL4753368 0.71 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4751070 0.71 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4751068 0.71 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2HTR2AMEN1
SCHEMBL4752802 0.71 ALDH1A1 (0.41) HTR7ABCB1ALDH1A1SMN1; SMN2DRD2
SCHEMBL4750825 0.71 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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-2008146063-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT6 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársagág (HU) 2008-12-04 WO disclosed