SCHEMBL20937145

SCHEMBL20937145

O=C(C1CC2CCC1O2)N1CC2CCCC2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.43
▸ ACKR3 P25106 9/20 0.40
▸ CHRNB2 P17787 9/20 0.36
▸ CHRNA3 P32297 9/20 0.36
▸ CHRNA4 P43681 9/20 0.36
▸ CHRNB4 P30926 8/20 0.36
▸ CHRNA7 P36544 8/20 0.36
▸ CHRNB3 Q05901 1/20 0.34
▸ CHRNA6 Q15825 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL15554584 0.74 PPP5C (0.53) ACKR3KCNH2
SCHEMBL20381220 0.71 HSD11B1 (0.54) HSD11B1ACKR3KCNH2
SCHEMBL9376106 0.69 KDM4E (0.44) —
SCHEMBL8067270 0.69 KDM4E (0.44) —
SCHEMBL3259183 0.69 KDM4E (0.44) —
SCHEMBL3211316 0.69 MEN1 (0.36) —
SCHEMBL3465697 0.69 KDM4E (0.44) —
SCHEMBL13795024 0.69 KDM4E (0.44) —
SCHEMBL8246038 0.69 KDM4E (0.44) —
SCHEMBL4738730 0.69 KDM4E (0.44) —

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-2019079783-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2019-04-25 — — WO disclosed
Send feedback