SCHEMBL8866372

SCHEMBL8866372

CC1(C(CCCOc2ccc(F)cc2)C(N)=O)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 4/20 0.40
FAAH O00519 4/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.38
PARP10 Q53GL7 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL17164088 0.70 PARP10 (0.48) FAAHKDM4ESMN1; SMN2MAOBPARP10
SCHEMBL8552703 0.67 DRD2 (0.42) PLA2G7FAAHHTTMEN1KMT2A
SCHEMBL27734525 0.67 PARP10 (0.46) FAAHKDM4ESMN1; SMN2MAOBPARP10
SCHEMBL27734528 0.67 PARP10 (0.46) FAAHKDM4ESMN1; SMN2MAOBPARP10
Hydrochloric Acid SCHEMBL8865813 0.67 DRD2 (0.46) PLA2G7FAAH
SCHEMBL7115531 0.66 KDM4E (0.54) FAAHKDM4ESMN1; SMN2MAOBPARP10
SCHEMBL30530685 0.66 KDM4E (0.53) FAAHKDM4ESMN1; SMN2MAOBPARP10
SCHEMBL6783763 0.64 SPHK1 (0.42) FAAHMEN1KMT2A
Hydrochloric Acid SCHEMBL8865807 0.64 PLA2G7 (0.38) PLA2G7MAOB
SCHEMBL13251237 0.64 TDP1 (0.53) FAAHKDM4ESMN1; SMN2HTTMEN1

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
US-5691358-A IMAGING 5-HT2-RECEPTOR SITES, RADIOLABELED JANSSEN PHARMACEUTICA, N.V. (BE) 1997-11-25 US disclosed
US-5688814-A MARKING 5HT2 RECEPTORS JANSSEN PHARMACEUTICA, N.V. (BE) 1997-11-18 US disclosed