SCHEMBL7979061

SCHEMBL7979061

COc1cc(C)c(C(F)(F)F)cc1C(=O)Nc1cccc2c1CCN(C)C2C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.39
RXFP1 Q9HBX9 5/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
CMA1 P23946 1/20 0.37
S1PR1 P21453 1/20 0.37
RBP4 P02753 1/20 0.37
PTK2 Q05397 1/20 0.37
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8176105 0.83 MEN1 (0.44) RXFP1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7993247 0.82 KDM4E (0.43) RXFP1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8445777 0.81 MEN1 (0.43) MEN1KMT2ASMN1; SMN2USP2MAPK1
SCHEMBL7993333 0.80 NR1H4 (0.45) RXFP1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7993464 0.78 KMT2A (0.42) KDM4EMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7991365 0.78 BRPF1 (0.43) KDM4EMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7990102 0.76 NR1H4 (0.46) RXFP1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8184224 0.76 MEN1 (0.44) RXFP1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL7799939 0.73 MEN1 (0.43) RXFP1MEN1KMT2AL3MBTL1
SCHEMBL8182722 0.72 KDR (0.43) MEN1KMT2ASMN1; SMN2LMNAUSP2

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-6277861-B1 FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN SMITHKLINE BEECHAM, P.L.C. (GB) 2001-08-21 US claimed
US-6277861-B1 FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN SMITHKLINE BEECHAM, P.L.C. (GB) 2001-08-21 US disclosed