SCHEMBL7915539

SCHEMBL7915539

CC(C)(C#CCN)OC(=O)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.52
CHRM2 P08172 5/20 0.52
CHRM1 P11229 4/20 0.52
CHRM3 P20309 4/20 0.52
KCNH2 Q12809 3/20 0.52
CYP2C19 P33261 2/20 0.52
SLC6A3 Q01959 2/20 0.52
CYP1A2 P05177 2/20 0.52
CHRM4 P08173 2/20 0.52
CHRM5 P08912 2/20 0.52
HTR2B P41595 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
ABCB11 O95342 1/20 0.52
ESR1 P03372 1/20 0.52

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
SCHEMBL9618325 0.89 POLB (0.54) POLBALDH1A1CHRM2CHRM1CHRM3
SCHEMBL7274104 0.88 CHRM2 (0.54) POLBALDH1A1CHRM2CHRM1CHRM3
SCHEMBL14001423 0.85 CHRM2 (0.52) POLBALDH1A1CHRM2CHRM1CHRM3
SCHEMBL6253092 0.85 CHRM2 (0.52) POLBALDH1A1CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9878913 0.85 POLB (0.61) POLBALDH1A1CHRM2CHRM1CHRM3
Temiverine SCHEMBL896437 0.84 CHRM2 (0.70) POLBALDH1A1CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9878043 0.84 MEN1 (0.53) POLBALDH1A1CHRM2CHRM1CHRM3
Temiverine SCHEMBL120687 0.84 CHRM2 (0.70) POLBALDH1A1CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9878732 0.84 POLB (0.59) POLBALDH1A1CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL9878735 0.84 HTT (0.59) POLBALDH1A1CYP2C19CYP3A4CYP2D6

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-6207852-B1 THERAPY FOR INCONTINENCE; CROHN'S DISEASE; MUSCLE RELAXANTS BRIDGE PHARMA, INC. 2001-03-27 US disclosed