SCHEMBL5244358

SCHEMBL5244358

Nc1ccc(C(F)(F)F)cc1Cc1ccc(Oc2ccc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 2/20 0.42
ADRA2A P08913 2/20 0.42
CYP2D6 P10635 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
CYP2C19 P33261 2/20 0.42
ADRA1A P35348 2/20 0.42
DRD3 P35462 2/20 0.42
KCNH2 Q12809 2/20 0.42
ABCB11 O95342 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
OPRM1 P35372 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3138360 0.82 LMNA (0.54) LMNASMN1; SMN2CYP3A4CYP1A2ADRA2A
SCHEMBL5646015 0.78 LIPE (0.61) LMNASMN1; SMN2CYP3A4CYP1A2ADRA2A
SCHEMBL29817180 0.75 LMNA (0.70) LMNASMN1; SMN2CYP3A4CYP1A2ADRA2A
SCHEMBL3137922 0.74 MEN1 (0.54) LMNASMN1; SMN2CYP3A4CYP1A2ADRA2A
SCHEMBL3143585 0.74 LMNA (0.49) LMNASMN1; SMN2CYP3A4CYP1A2ADRA2A
SCHEMBL8925732 0.73 LMNA (0.49) LMNASMN1; SMN2CYP3A4CYP1A2ADRA2A
SCHEMBL3137365 0.73 PRKAA2 (0.56) HIF1AALDH1A1MEN1KMT2AUSP2
SCHEMBL3143560 0.72 SMN1; SMN2 (0.48) LMNASMN1; SMN2CYP3A4CYP1A2ADRA2A
SCHEMBL12276572 0.72 NPC1 (0.47) LMNASMN1; SMN2HIF1AALDH1A1USP2
SCHEMBL3143051 0.72 MEN1 (0.51) LMNASMN1; SMN2CYP3A4CYP1A2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed