SCHEMBL6990111

SCHEMBL6990111

CC1CC(NC(=O)n2ccc3ccccc32)CCN1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
SSTR4 P31391 11/20 0.40
SSTR1 P30872 6/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TFPI2 P48307 1/20 0.39
NPY4R P50391 1/20 0.39
HTR6 P50406 4/20 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
SCHEMBL7266776 0.79 HTR3A (0.55) NOTUMHTR3ATSHR
Hydrochloric Acid SCHEMBL7429564 0.78 HTR3A (0.54) HTR3ATSHR
SCHEMBL27900168 0.78 NOTUM (0.48) NOTUMHTR3EHTR3BCHRNB2CHRNA7
SCHEMBL24317717 0.70 ATM (0.44) SSTR4SSTR1
SCHEMBL14834210 0.69 MGLL (0.47) HTR3EHTR3BCHRNB2CHRNA7CHRNA4
SCHEMBL5564015 0.69 DRD2 (0.44)
SCHEMBL6374063 0.68 NOTUM (0.65) NOTUMHTR3EHTR3BCHRNB2CHRNA7
SCHEMBL29373439 0.68 NOTUM (0.65) NOTUMHTR3EHTR3BCHRNB2CHRNA7
SCHEMBL28651838 0.68 NOTUM (0.59) NOTUMHTR3EHTR3BCHRNB2CHRNA7
SCHEMBL25053096 0.68 CTSL (0.58) TSHR

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-1335917-A2 CONDENSED PYRIDOINDOLE DERIVATIVES Lilly Icos LLC (US) 2003-08-20 EP claimed
WO-2002028859-A2 CONDENSED PYRIDOINDOLE DERIVATIVES LILLY ICOS LLC (US) 2002-04-11 WO claimed