SCHEMBL6733786

SCHEMBL6733786

CC(=O)[C@@]1(C)CNC[C@@H](C)N1CCNC(=O)[C@@H]1CCCCN1c1nc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 5/20 0.41
TSHR P16473 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ELANE P08246 2/20 0.37
HTR3A P46098 2/20 0.36
CHRNA7 P36544 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
SCHEMBL6738470 0.86 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6740425 0.81 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6738120 0.80 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6735158 0.80 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6733748 0.79 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6737762 0.79 ALDH1A1 (0.60) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6740943 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6740952 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6740194 0.77 ALDH1A1 (0.60) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6739641 0.77 ALDH1A1 (0.60) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT

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
US-6686357-B1 BENZIMIDAZOLO-PIPERIDINE COMPOUND PFIZER, INC. 2004-02-03 US disclosed