SCHEMBL27475845

SCHEMBL27475845

O=C(O)C1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.66
S1PR5 Q9H228 2/20 0.62
HRH3 Q9Y5N1 2/20 0.60
CCR8 P51685 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
FAAH O00519 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
TP53 P04637 1/20 0.56
CHRM4 P08173 1/20 0.56

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
SCHEMBL1519223 0.86 MEN1 (0.69) LTA4HS1PR5FAAH
SCHEMBL3039936 0.85 S1PR5 (0.81) S1PR5
SCHEMBL27658773 0.85 RAB9A (0.78) LTA4HS1PR5HRH3SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2551741 0.85 MEN1 (0.68) LTA4HS1PR5FAAH
SCHEMBL8791924 0.84 CCR8 (0.81) LTA4HHRH3CCR8SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1449444 0.84 KMT2A (0.68) LTA4HSMN1; SMN2ALDH1A1FAAHTP53
SCHEMBL6990156 0.84 S1PR5 (0.67) S1PR5HRH3
SCHEMBL22483727 0.84 KCNH2 (0.59) LTA4HS1PR5CHRM4
SCHEMBL24008595 0.84 RAB9A (0.72) LTA4HHRH3ALDH1A1FAAHNPC1
SCHEMBL5175763 0.83 S1PR5 (0.69) LTA4HS1PR5HRH3SMN1; SMN2FAAH

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
CN-1147193-A Insecticidal N-(substd. Arylmethyl)-4-[bis(substd. phenyl) methyl] piperidines FMC CORP (US) 1997-04-09 CN disclosed