SCHEMBL7006099

SCHEMBL7006099

CN1CC=C(c2c[nH]c3ccc([C@@]4(O)CCN5CCC[C@H]5C4)cc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.53
NOS3 P29474 2/20 0.51
NOS1 P29475 2/20 0.51
NOS2 P35228 1/20 0.51

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
SCHEMBL7010984 1.00 SLC6A4 (0.53) SLC6A4NOS3NOS1NOS2
SCHEMBL6965518 0.84 SLC6A4 (0.65) SLC6A4
SCHEMBL6965512 0.81 SLC6A4 (0.59) SLC6A4
SCHEMBL6997941 0.81 SLC6A4 (0.41) SLC6A4NOS3NOS1NOS2
SCHEMBL7006323 0.79 CYP1A2 (0.55) NOS3NOS1NOS2
SCHEMBL7006768 0.77 HTR6 (0.40)
SCHEMBL7002561 0.76 SLC6A4 (0.36) SLC6A4NOS3NOS1NOS2
SCHEMBL6997685 0.76 SLC6A4 (0.36) SLC6A4NOS3NOS1NOS2
SCHEMBL7007800 0.76 SLC6A4 (0.59) SLC6A4
SCHEMBL7007803 0.76 SLC6A4 (0.59) SLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098896-B1 5-BICYCLOINDOLE COMPOUNDS NPS ALLELIX CORP (CA) 2003-06-25 EP claimed
EP-1098896-B1 5-BICYCLOINDOLE COMPOUNDS NPS ALLELIX CORP (CA) 2003-06-25 EP disclosed