SCHEMBL7301608

SCHEMBL7301608

CCC(=O)Nc1ccc(C=CCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 3/20 0.63
HTT P42858 1/20 0.63
ALDH1A1 P00352 2/20 0.61
CCR3 P51677 1/20 0.52
GAA P10253 2/20 0.51
CYP2C19 P33261 3/20 0.50
CYP2C9 P11712 2/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
UBE2N P61088 1/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL7301607 1.00 SMN1; SMN2 (0.63) SMN1; SMN2LMNAHTTALDH1A1CCR3
SCHEMBL7302996 0.90 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHTTALDH1A1CCR3
SCHEMBL7302989 0.90 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHTTALDH1A1CCR3
SCHEMBL7307245 0.88 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTALDH1A1CCR3
SCHEMBL7307239 0.88 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTALDH1A1CCR3
SCHEMBL7307025 0.87 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTALDH1A1CCR3
SCHEMBL7307031 0.87 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTALDH1A1CCR3
SCHEMBL7304553 0.86 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTALDH1A1CCR3
SCHEMBL7304550 0.86 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTALDH1A1CCR3
SCHEMBL7300827 0.82 CCR3 (0.58) SMN1; SMN2LMNAHTTCCR3PLA2G1B

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
US-5229400-A Cardiovascular disorders AJINOMOTO CO., INC. (JP) 1993-07-20 US claimed
US-5229400-A Cardiovascular disorders AJINOMOTO CO., INC. (JP) 1993-07-20 US disclosed
EP-0479601-A2 Piperidine derivatives and their use as antiarrhythmic agents Ajinomoto Co., Inc. (JP) 1992-04-08 EP disclosed