SCHEMBL177022

SCHEMBL177022

O=C(O)c1nn(C2CCCCO2)c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.48
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
ATR Q13535 1/20 0.42
CMKLR1 Q99788 3/20 0.41
NR4A2 P43354 1/20 0.40
MAOB P27338 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SRD5A2 P31213 1/20 0.39

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
SCHEMBL2237767 0.89 HTR3A (0.46) HTR3ACYP4F2CYP4A11CNR1CNR2
SCHEMBL176753 0.86 CYP4F2 (0.44) HTR3ACYP4F2CYP4A11CNR1CNR2
SCHEMBL176886 0.85 FFAR1 (0.43) HTR3ACYP4F2CYP4A11CNR1CNR2
SCHEMBL3339869 0.85 CYP4F2 (0.41) HTR3ACYP4F2CYP4A11CNR1CNR2
SCHEMBL176881 0.84 CYP4F2 (0.44) HTR3ACYP4F2CYP4A11CNR1CNR2
SCHEMBL177618 0.84 KDM4E (0.43) HTR3ACYP4F2CYP4A11CNR1CNR2
SCHEMBL2237687 0.84 KDM4E (0.43) HTR3ACYP4F2CYP4A11CNR1CNR2
SCHEMBL2303237 0.84 HTR3A (0.44) HTR3ACYP4F2CYP4A11CNR1CNR2
SCHEMBL177024 0.83 CYP4F2 (0.43) HTR3ACYP4F2CYP4A11CNR1CNR2
SCHEMBL12348081 0.81 HTR3A (0.41) HTR3ACYP4F2CYP4A11CNR1CNR2

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
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed