SCHEMBL9028115

SCHEMBL9028115

O=C(OC(=O)[C@@H]1CC(O)CN1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.40
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CTSC P53634 1/20 0.39
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.36
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
ELANE P08246 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL14434841 1.00 CHRNA7 (0.40) CHRNA7F2LMNACHRM2CHRM4
SCHEMBL25407130 0.79 KMO (0.40) SLC6A4SLC6A3TSHRSLC6A2
SCHEMBL7335419 0.79 CTSC (0.42) CHRNA7CTSC
SCHEMBL7335409 0.79 CTSC (0.42) CHRNA7CTSC
SCHEMBL7335416 0.79 CTSC (0.42) CHRNA7CTSC
SCHEMBL7335426 0.79 CTSC (0.42) CHRNA7CTSC
SCHEMBL2896537 0.78 ALDH1A1 (0.41) CTSCSLC6A3GAAELANE
SCHEMBL31621126 0.78 ALDH1A1 (0.41) CTSCSLC6A3GAAELANE
Benzoic Acid SCHEMBL28112972 0.76 DAO (0.47) TSHR
SCHEMBL8602762 0.76 ALDH1A1 (0.43) CTSCSLC6A3TSHRGAASLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486386-B1 Novel derivatives of N-benzoylproline, process for their preparation and drugs containing them ADIR (FR) 1996-07-17 EP disclosed
EP-0486386-A2 Novel derivatives of N-benzoylproline, process for their preparation and drugs containing them ADIR ET COMPAGNIE (FR) 1992-05-20 EP disclosed