SCHEMBL12993111

SCHEMBL12993111

CNC(c1cccnc1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 6/20 0.43
SLC6A3 Q01959 3/20 0.43
CFTR P13569 2/20 0.43
GOPC Q9HD26 2/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP19A1 P11511 1/20 0.39
GAA P10253 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL11871868 0.83 HSD17B10 (0.40) MAPTTSHRHSD17B10SLC6A2SLC6A4
SCHEMBL14392243 0.83 SLC6A4 (0.43) MAPTTSHRHSD17B10SLC6A2SLC6A4
SCHEMBL8793977 0.80 KCNN4 (0.50) MAPTTSHRHSD17B10SLC6A2SLC6A4
SCHEMBL24016014 0.80 POLB (0.53) MAPTTSHRHSD17B10SMN1; SMN2CYP19A1
SCHEMBL31407193 0.78 CYP3A4 (0.52) MAPTTSHRSLC6A2SLC6A4SLC6A3
SCHEMBL10063384 0.77 IDO1 (0.44) TSHRHSD17B10GAA
SCHEMBL25591483 0.76 NPC1 (0.43) MAPTTSHRHSD17B10SMN1; SMN2CYP19A1
SCHEMBL31036989 0.76 NPC1 (0.49) MAPTTSHRHSD17B10SMN1; SMN2
SCHEMBL2482817 0.74 SLC6A4 (0.48) MAPTTSHRHSD17B10SLC6A2SLC6A4
SCHEMBL8795521 0.73 SMN1; SMN2 (0.53) MAPTTSHRHSD17B10SLC6A2SLC6A4

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-2261218-A2 Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles Eisai R&D Management Co., Ltd. (JP) 2010-12-15 EP disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed