SCHEMBL6668601

SCHEMBL6668601

O=C(Nc1ccc2c(c1)CCN2C(=O)Cc1ccccn1)c1cc(N2CCCCC2)ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.46
EIF2AK3 Q9NZJ5 1/20 0.45
MAPT P10636 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
KLF5 Q13887 1/20 0.43
LRRK2 Q5S007 2/20 0.41
ALDH1A1 P00352 1/20 0.41
AVPR2 P30518 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 0.40
HTR2A P28223 2/20 0.40
CREBBP Q92793 1/20 0.40

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
SCHEMBL6665348 0.93 SMO (0.44) SMOEIF2AK3MAPTRAB9ALRRK2
SCHEMBL6667958 0.93 SMO (0.44) SMOEIF2AK3AVPR2AVPR1ACYP11B1
SCHEMBL6803877 0.92 SMO (0.47) SMOEIF2AK3MAPTRAB9ASMN1; SMN2
SCHEMBL6665157 0.88 SMO (0.49) SMOEIF2AK3RAB9AHTTAVPR2
SCHEMBL6663993 0.88 EIF2AK3 (0.50) SMOEIF2AK3RAB9ACYP11B1CYP11B2
SCHEMBL6664314 0.88 SMO (0.47) SMOEIF2AK3HTTAVPR2AVPR1A
SCHEMBL6661936 0.88 SMO (0.47) SMOEIF2AK3MAPTRAB9ASMN1; SMN2
SCHEMBL6664878 0.88 EIF2AK3 (0.48) SMOEIF2AK3MAPTRAB9ASMN1; SMN2
SCHEMBL6664409 0.87 EIF2AK3 (0.48) SMOEIF2AK3MAPTRAB9ASMN1; SMN2
SCHEMBL6809248 0.87 SMO (0.56) SMOEIF2AK3HTTALDH1A1AVPR2

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-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed