SCHEMBL21154007

SCHEMBL21154007

C=C[C@@H]1C[C@H](N)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
NR1H2 P55055 1/20 0.37
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD11B1 P28845 1/20 0.33
HPGD P15428 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL8274294 0.86 NR1H2 (0.41) CHRM2CHRM1CHRM3NR1H2MMP2
SCHEMBL20713877 0.86 CHRM2 (0.47) CHRM2CHRM1CHRM3NR1H2F13A1
SCHEMBL10198283 0.86 NR1H2 (0.41) CHRM2CHRM1CHRM3NR1H2MMP2
SCHEMBL19865492 0.86 CHRM2 (0.47) CHRM2CHRM1CHRM3NR1H2F13A1
SCHEMBL10145613 0.82 NR1H2 (0.43) CHRM2CHRM1CHRM3NR1H2F13A1
SCHEMBL609152 0.82 NR1H2 (0.43) CHRM2CHRM1CHRM3NR1H2F13A1
SCHEMBL607607 0.82 NR1H2 (0.43) CHRM2CHRM1CHRM3NR1H2F13A1
SCHEMBL1267911 0.81 NR1H2 (0.38) CHRM2CHRM1CHRM3NR1H2MMP2
SCHEMBL3964957 0.81 NR1H2 (0.38) CHRM2CHRM1CHRM3NR1H2MMP2
SCHEMBL1268168 0.81 NR1H2 (0.38) CHRM2CHRM1CHRM3NR1H2MMP2

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-3508482-B1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR AND USE THEREOF NANJING TRANSTHERA BIOSCIENCES CO LTD (CN) 2020-12-16 EP disclosed
EP-3508482-A1 INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR AND USE THEREOF Nanjing Transthera Biosciences Co. Ltd. (CN) 2019-07-10 EP disclosed