SCHEMBL170789

SCHEMBL170789

CC1CN[C@H](c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
GBA1 P04062 1/20 0.41
PRCP P42785 1/20 0.41
SLC6A2 P23975 2/20 0.39
ADRA1A P35348 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HTR2B P41595 1/20 0.39
LMNA P02545 2/20 0.37
CHRNA7 P36544 1/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
CYP2C19 P33261 3/20 0.35
KDM1A O60341 2/20 0.35
CYP2B6 P20813 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL19500985 1.00 MEN1 (0.46) MEN1KMT2ASMN1; SMN2GBA1PRCP
SCHEMBL25645589 1.00 MEN1 (0.46) MEN1KMT2ASMN1; SMN2GBA1PRCP
Hydrochloric Acid SCHEMBL26984300 0.98 MEN1 (0.44) MEN1KMT2ASMN1; SMN2GBA1PRCP
SCHEMBL24364274 0.82 PRCP (0.40) MEN1KMT2ASMN1; SMN2GBA1PRCP
SCHEMBL24233795 0.82 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2GBA1PRCP
SCHEMBL30471218 0.82 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2GBA1PRCP
SCHEMBL14359968 0.82 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2GBA1PRCP
SCHEMBL17066472 0.80 MEN1 (0.43) MEN1KMT2ASMN1; SMN2GBA1PRCP
SCHEMBL17987646 0.80 MEN1 (0.43) MEN1KMT2ASMN1; SMN2GBA1PRCP
SCHEMBL24233804 0.80 MEN1 (0.43) MEN1KMT2ASMN1; SMN2GBA1PRCP

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