SCHEMBL19484455

SCHEMBL19484455

CCNC(C)COc1ccc(C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADAMTS4 O75173 1/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 1/20 0.40
GABRA5 P31644 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL19479367 1.00 HPGD (0.47) HPGDMAPK1LMNAMAPTSIGMAR1
SCHEMBL2608849 0.82 HPGD (0.50) HPGDMAPK1LMNAMAPTTSHR
SCHEMBL16592084 0.81 HPGD (0.50) HPGDMAPK1LMNAMAPTTSHR
SCHEMBL19480710 0.81 SIGMAR1 (0.42) HPGDLMNAMAPTSIGMAR1ADRA2C
SCHEMBL19484271 0.81 ACACB (0.40) LMNAACACBL3MBTL1TRPV3
SCHEMBL19484272 0.81 ACACB (0.40) LMNAACACBL3MBTL1TRPV3
SCHEMBL19480925 0.79 HPGD (0.48) HPGDMAPK1LMNAMAPTTSHR
SCHEMBL19480926 0.79 HPGD (0.48) HPGDMAPK1LMNAMAPTTSHR
SCHEMBL19480711 0.78 SIGMAR1 (0.35) LMNAMAPTSIGMAR1ADRA2CHTR2A
SCHEMBL19480704 0.78 SIGMAR1 (0.35) LMNAMAPTSIGMAR1ADRA2CHTR2A

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-3442958-B1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-06 EP disclosed
WO-2017178340-A1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-19 WO disclosed