SCHEMBL5330083

SCHEMBL5330083

CC(c1nc2ccccc2[nH]1)N1CC2C(CN)C2C1c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 1/20 0.33
MLKL Q8NB16 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
FPR1 P21462 2/20 0.33
ATM Q13315 1/20 0.33
ALPL P05186 1/20 0.33
MAPK1 P28482 1/20 0.33
PTPN1 P18031 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
KLK7 P49862 1/20 0.32
DRD4 P21917 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL5321876 0.74 TAAR1 (0.48) TAAR1ALDH1A1POLBTSHRLMNA
SCHEMBL5326871 0.67 GRM2 (0.53) LMNADRD4NPC1PKMRAB9A
SCHEMBL5329879 0.66 IDO1 (0.46) TAAR1ALDH1A1POLBTSHRLMNA
SCHEMBL14029834 0.63 TAAR1 (0.56) TAAR1ALDH1A1POLBSMN1; SMN2IDO1
SCHEMBL3983437 0.62 LMNA (0.44) TAAR1ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL1001310 0.62 TAAR1 (0.62) TAAR1ALDH1A1POLBSMN1; SMN2IDO1
SCHEMBL28722124 0.61 MAPT (0.52) TAAR1ALDH1A1POLBTSHRLMNA
SCHEMBL14005055 0.61 TAAR1 (0.54) TAAR1ALDH1A1POLBSMN1; SMN2IDO1
Hydrochloric Acid SCHEMBL5845865 0.61 TAAR1 (0.65) TAAR1ALDH1A1POLBSMN1; SMN2IDO1
SCHEMBL5322731 0.61 TAAR1 (0.39) TAAR1ALDH1A1POLBLMNASMN1; SMN2

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
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed