SCHEMBL6586289

SCHEMBL6586289

CC1CC(c2ccc(F)cc2)CC=N1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
KDM1A O60341 2/20 0.37
ADRB2 P07550 1/20 0.37
ATM Q13315 1/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.34
SLC6A2 P23975 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2B P41595 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ALPL P05186 1/20 0.33
IDH1 O75874 1/20 0.32
IDH2 P48735 1/20 0.32
SLC9A1 P19634 1/20 0.31

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
SCHEMBL4426335 0.81 SLC18A3 (0.35) KDM1ASLC6A2HTR2CSLC6A3
SCHEMBL27943675 0.74 KDM1A (0.39) RECQLKDM1AADRB2ATMMAP1LC3B
SCHEMBL18019009 0.70 KDM1A (0.46) RECQLKDM1AADRB2ATMMAP1LC3B
SCHEMBL4038924 0.69 KDM1A (0.44) RECQLKDM1AADRB2ATMMAP1LC3B
SCHEMBL17147575 0.66 ESR2 (0.48) KDM1AADRB2MAP1LC3BSLC6A2HTR2A
SCHEMBL21503504 0.66 ESR2 (0.48) KDM1AADRB2MAP1LC3BSLC6A2HTR2A
SCHEMBL16938580 0.66 ESR2 (0.48) KDM1AADRB2MAP1LC3BSLC6A2HTR2A
SCHEMBL17147576 0.66 ESR2 (0.48) KDM1AADRB2MAP1LC3BSLC6A2HTR2A
Hydrochloric Acid SCHEMBL7658988 0.66 KDM1A (0.37) KDM1AATMMAP1LC3BSLC6A2HTR2A
SCHEMBL21550292 0.65 KDM1A (0.44) RECQLKDM1AADRB2ATMMAP1LC3B

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-1440067-A1 N-FORMYL DERIVATIVES OF PAROXETINE Synthon B.V. (NL) 2004-07-28 EP disclosed
WO-2003044012-A1 N-FORMYL DERIVATIVES OF PAROXETINE SYNTHON B.V. (NL) 2003-05-30 WO disclosed