SCHEMBL8644802

SCHEMBL8644802

c1ccc(CC2CC[N]C(c3ccccc3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
CCR3 P51677 2/20 0.40
PRMT3 O60678 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT1 Q99873 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 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
SCHEMBL2096002 0.79 NOS3 (0.46) GBA1CCR3PRMT3CARM1PRMT6
SCHEMBL8649728 0.78 GBA1 (0.44) GBA1CCR3PRMT3CARM1PRMT6
SCHEMBL42600 0.72 GBA1 (0.59) GBA1CCR3PRMT3CARM1PRMT6
SCHEMBL8648535 0.72 MAOB (0.38) NOS1NOS2LMNA
SCHEMBL1749974 0.71 NOS1 (0.44) NOS3NOS1NOS2LMNATSHR
SCHEMBL1830037 0.70 NOS3 (0.50) GBA1CCR3NOS3NOS1NOS2
SCHEMBL1366152 0.69 GBA1 (0.50) GBA1CCR3PRMT3CARM1PRMT6
SCHEMBL2027845 0.69 GBA1 (0.71) GBA1CCR3PRMT3CARM1PRMT6
SCHEMBL674276 0.69 GBA1 (0.71) GBA1CCR3PRMT3CARM1PRMT6
SCHEMBL27533679 0.67 GBA1 (0.57) GBA1CCR3PRMT3CARM1PRMT6

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