SCHEMBL170815

SCHEMBL170815

CC1CC(c2ccccc2)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.47
PRCP P42785 1/20 0.41
LMNA P02545 2/20 0.40
CHRNA7 P36544 1/20 0.39
MAOA P21397 6/20 0.39
MAOB P27338 6/20 0.39
KDM1A O60341 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2B6 P20813 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
SLC6A2 P23975 2/20 0.39
ADRA1A P35348 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 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
SCHEMBL170738 1.00 MEN1 (0.55) MEN1KMT2ASMN1; SMN2PRCPLMNA
SCHEMBL6980945 0.88 MEN1 (0.46) MEN1KMT2ASMN1; SMN2PRCPLMNA
SCHEMBL6980943 0.88 MEN1 (0.46) MEN1KMT2ASMN1; SMN2PRCPLMNA
Hydrochloric Acid SCHEMBL7589497 0.87 MEN1 (0.44) MEN1KMT2ASMN1; SMN2PRCPLMNA
Hydrochloric Acid SCHEMBL7591989 0.87 MEN1 (0.44) MEN1KMT2ASMN1; SMN2PRCPLMNA
SCHEMBL19283462 0.85 MEN1 (0.64) MEN1KMT2ASMN1; SMN2PRCPLMNA
SCHEMBL13450005 0.84 MEN1 (0.59) MEN1KMT2ASMN1; SMN2PRCPLMNA
Oxalic Acid SCHEMBL7595700 0.82 MEN1 (0.41) MEN1KMT2ASMN1; SMN2LMNACHRNA7
Oxalic Acid SCHEMBL7595702 0.82 MEN1 (0.41) MEN1KMT2ASMN1; SMN2LMNACHRNA7
SCHEMBL20983529 0.82 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2PRCPLMNA

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-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed