SCHEMBL7300824

SCHEMBL7300824

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.58
PLA2G1B P04054 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
HTR2A P28223 4/20 0.53
HTR2C P28335 2/20 0.53
HTR7 P34969 2/20 0.53
HTR6 P50406 2/20 0.53
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
HSD11B1 P28845 1/20 0.49

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
SCHEMBL7300827 1.00 CCR3 (0.58) CCR3PLA2G1BATG4BHTR2AHTR2C
SCHEMBL7299034 0.84 HSD11B1 (0.62) CCR3PLA2G1BATG4BHTR2AHTR2C
SCHEMBL7299037 0.84 HSD11B1 (0.62) CCR3PLA2G1BATG4BHTR2AHTR2C
SCHEMBL7302996 0.84 SMN1; SMN2 (0.59) CCR3PLA2G1BATG4BHTR2AHTR2C
SCHEMBL7302989 0.84 SMN1; SMN2 (0.59) CCR3PLA2G1BATG4BHTR2AHTR2C
SCHEMBL7301608 0.82 SMN1; SMN2 (0.63) CCR3PLA2G1BATG4BLMNAHTT
SCHEMBL7304553 0.82 SMN1; SMN2 (0.57) CCR3PLA2G1BATG4BHTR2AHTR2C
SCHEMBL7307239 0.82 SMN1; SMN2 (0.57) CCR3PLA2G1BATG4BHTR2AHTR2C
SCHEMBL7307245 0.82 SMN1; SMN2 (0.57) CCR3PLA2G1BATG4BHTR2AHTR2C
SCHEMBL7304550 0.82 SMN1; SMN2 (0.57) CCR3PLA2G1BATG4BHTR2AHTR2C

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