SCHEMBL8174751

SCHEMBL8174751

O=C(c1c(-c2ccccc2)n(C2CCCNC2)c(=O)n1CCCNS(=O)(=O)c1ccccc1)N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.37
HTR7 P34969 2/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
PTGES O14684 1/20 0.33
CCR1 P32246 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
HTR6 P50406 2/20 0.33
TBXA2R P21731 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL884541 0.88 CYP2C19 (0.36) ALDH1A1LMNAHTTSMN1; SMN2ITGB3
SCHEMBL884696 0.88 POLB (0.34) HTR7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL884440 0.87 HTR7 (0.36) HTR7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL884791 0.87 HTR7 (0.36) HTR7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL885714 0.83 POLB (0.35) ALDH1A1LMNAHTTSMN1; SMN2ITGB3
SCHEMBL884320 0.83 LMNA (0.39) ALDH1A1LMNAHTTSMN1; SMN2ITGB3
SCHEMBL885599 0.83 HDAC1 (0.33) ALDH1A1LMNAHTTSMN1; SMN2ITGB3
SCHEMBL2063305 0.82 MEN1 (0.34) HTR7ALDH1A1LMNAPKMRAB9A
SCHEMBL884589 0.82 ALOX15 (0.36) HTR7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL884509 0.80 HTR7 (0.37) HTR7ALDH1A1LMNASMN1; SMN2CCR1

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
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed