SCHEMBL7545659

SCHEMBL7545659

CC(C)CN1CCN(c2ccc(C(=O)NCCCCCCCCCCCCCCCCCCI)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.48
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
FOLH1 Q04609 1/20 0.46
DRD3 P35462 4/20 0.45
DRD4 P21917 4/20 0.45
HTR1A P08908 3/20 0.45
DRD2 P14416 3/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
SLC6A4 P31645 1/20 0.43
HTR2A P28223 1/20 0.42
HDAC6 Q9UBN7 4/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL7547198 1.00 SCD (0.48) SCDALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL7544273 1.00 SCD (0.48) SCDALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL7544805 1.00 SCD (0.48) SCDALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL7544049 1.00 SCD (0.48) SCDALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL7547195 0.91 SCD (0.49) SCDALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL7542591 0.91 SCD (0.49) SCDALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL7543520 0.91 SCD (0.49) SCDALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL7546273 0.91 SCD (0.49) SCDALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL7544151 0.91 SCD (0.49) SCDALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL7540818 0.91 SCD (0.49) SCDALDH1A1SMN1; SMN2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885886-B1 PYRIDINECARBOXAMIDE DERIVATIVES NISSHIN SEIFUN GROUP INC (JP) 2002-05-29 EP disclosed
US-5972943-A N-(NITRIC ACID,C14-18 ALKYL ESTER)-6-(1-(OPTIONALLY 4-SUBSTITUTED PIPERAZINYL)) PYRIDINE-3-CARBOXAMIDES; METHOD OF SYNTHESIS; ADMINISTERING TO TREAT CEREBRAL EDEMA; NO HYPOTENSIVE SIDE EFFECT NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-10-26 US disclosed
EP-0885886-A1 NOVEL PYRIDINECARBOXAMIDE DERIVATIVES Nisshin Flour Milling Co., Ltd. (JP) 1998-12-23 EP disclosed