SCHEMBL11428255

SCHEMBL11428255

COc1ccc2c(c1)C(C1CCNCC1)C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KCNH2 Q12809 1/20 0.41
HTR2C P28335 3/20 0.40
TP53 P04637 1/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HTR2B P41595 2/20 0.39
HTR7 P34969 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR2A P28223 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL7876404 0.79 KCNH2 (0.43) KCNH2HTR2CTP53KMT2AMEN1
SCHEMBL16801501 0.79 TP53 (0.41) HTR2CTP53ALDH1A1HTR2BHTR2A
SCHEMBL16801711 0.77 GSK3B (0.44) KCNH2HTR2CALDH1A1HTR2ASMN1; SMN2
SCHEMBL2982905 0.75 IDO1 (0.41) HTR2CALDH1A1MAPT
SCHEMBL23785707 0.75 IDO1 (0.41) HTR2CALDH1A1MAPT
Hydrochloric Acid SCHEMBL6249275 0.74 HTR2C (0.41) HTR2CALDH1A1MAPT
SCHEMBL6642813 0.73 NOS3 (0.48) MAOAMAOBTP53PDE3BPDE3A
SCHEMBL15730582 0.73 MAOA (0.51) MAOAMAOBTP53PDE3BPDE3A
SCHEMBL26655574 0.72 HTR2C (0.43) MAOAMAOBHTR2CALDH1A1HTR2B
SCHEMBL18901276 0.72 MAOA (0.46) MAOAMAOBTP53PDE3BPDE3A

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
US-4224333-A Antihypertensive 2H-indol-2-ones ROUSSEL UCLAF (FR) 1980-09-23 US disclosed