SCHEMBL8649728

SCHEMBL8649728

CC1CC(Cc2ccccc2)CC[N]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.44
CCR3 P51677 2/20 0.41
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
PRMT3 O60678 1/20 0.38
PRMT1 Q99873 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
NOS3 P29474 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL2096002 0.81 NOS3 (0.46) GBA1CCR3CARM1PRMT6NOS1
SCHEMBL8644802 0.78 GBA1 (0.43) GBA1CCR3CARM1PRMT6NOS1
SCHEMBL4609517 0.74 GBA1 (0.50) GBA1CCR3
SCHEMBL42600 0.74 GBA1 (0.59) GBA1CCR3CARM1PRMT6PRMT3
SCHEMBL16191140 0.73 GBA1 (0.48) GBA1CCR3CARM1PRMT6NOS1
SCHEMBL27439538 0.73 GBA1 (0.48) GBA1CCR3
SCHEMBL21494673 0.71 GBA1 (0.47) GBA1CCR3CARM1PRMT6
SCHEMBL1830037 0.71 NOS3 (0.50) GBA1CCR3NOS1NOS2NOS3
SCHEMBL1366152 0.71 GBA1 (0.50) GBA1CCR3CARM1PRMT6NOS1
SCHEMBL6051971 0.70 GRIN2B (0.49) CCR3

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
US-5773437-A UROGENITAL DISORDERS SUCH AS DYSURIA NIPPON CHEMIPHAR CO., LTD. (JP) 1998-06-30 US disclosed