SCHEMBL7307239

SCHEMBL7307239

COC(=O)Nc1ccc(/C=C/CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 1/20 0.56
CYP2C19 P33261 3/20 0.53
GAA P10253 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP1A2 P05177 1/20 0.53
CCR3 P51677 1/20 0.52
GLA P06280 1/20 0.51
MAPK1 P28482 1/20 0.51
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
CYP2D6 P10635 1/20 0.49
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 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
SCHEMBL7307245 1.00 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTALDH1A1CYP2C19
SCHEMBL7307031 0.91 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTALDH1A1CYP2C19
SCHEMBL7307025 0.91 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTALDH1A1CYP2C19
SCHEMBL7302996 0.90 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHTTALDH1A1CYP2C19
SCHEMBL7302989 0.90 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHTTALDH1A1CYP2C19
SCHEMBL7301608 0.88 SMN1; SMN2 (0.63) SMN1; SMN2LMNAHTTALDH1A1CYP2C19
SCHEMBL7301607 0.88 SMN1; SMN2 (0.63) SMN1; SMN2LMNAHTTALDH1A1CYP2C19
SCHEMBL7304550 0.86 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTALDH1A1CYP2C19
SCHEMBL7304553 0.86 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTALDH1A1CYP2C19
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