SCHEMBL8690306

SCHEMBL8690306

NC(=O)CCCC1CCN(CCOc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.59
SIGMAR1 Q99720 2/20 0.59
LTA4H P09960 7/20 0.57
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNA5 P22460 1/20 0.51
TEAD1 P28347 1/20 0.50
TEAD3 Q99594 1/20 0.50
CHRM3 P20309 1/20 0.49
KCNH2 Q12809 1/20 0.49
HTR1A P08908 1/20 0.49
HTR7 P34969 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
SCHEMBL8693005 0.94 TMEM97 (0.60) TMEM97SIGMAR1LTA4HKDM4EKCNA5
SCHEMBL22266173 0.86 LTA4H (0.71) TMEM97SIGMAR1LTA4HKDM4EALDH1A1
SCHEMBL5031358 0.83 HRH3 (0.53) TMEM97SIGMAR1LTA4HKDM4EALDH1A1
SCHEMBL5029372 0.81 HRH3 (0.56) TMEM97SIGMAR1LTA4HKDM4EALDH1A1
SCHEMBL14204982 0.80 LTA4H (0.81) TMEM97SIGMAR1LTA4HKDM4EKCNA5
SCHEMBL22266214 0.79 LTA4H (0.62) TMEM97SIGMAR1LTA4HKDM4EALDH1A1
SCHEMBL8693762 0.79 TMEM97 (0.68) TMEM97SIGMAR1LTA4H
SCHEMBL8691198 0.79 TMEM97 (0.60) TMEM97SIGMAR1LTA4HKCNH2
SCHEMBL3571383 0.78 TMEM97 (0.71) TMEM97SIGMAR1LTA4HHTR1AHTR7
SCHEMBL27877049 0.78 TMEM97 (0.74) TMEM97SIGMAR1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760035-A PIPERIDINE COMPOUNDS SUBSTITUTED WITH AN AMINOALKYL GROUP AND AN ARYLOXYALKYL GROUP, ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, IMMUNOSUPPRESSANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-06-02 US disclosed