SCHEMBL22249369

SCHEMBL22249369

CN1CC2C(C1)C2C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
SSTR4 P31391 1/20 0.31
ARG1 P05089 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL19045066 1.00 HDAC3 (0.32) HDAC3HDAC1HDAC2SSTR4ARG1
SCHEMBL20418174 0.78 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL20417973 0.78 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL18418153 0.77 CYP1A2 (0.33) HDAC3HDAC1HDAC2SSTR4
SCHEMBL9965985 0.77 PPP5C (0.36) SMN1; SMN2
SCHEMBL16252754 0.77 PPP5C (0.36) SMN1; SMN2
SCHEMBL13735630 0.77 PPP5C (0.36) SMN1; SMN2
SCHEMBL18711709 0.76 CHRNB2 (0.45) HDAC3HDAC1HDAC2SMN1; SMN2
Hydrochloric Acid SCHEMBL20943290 0.75 TDP1 (0.37) SMN1; SMN2
Hydrochloric Acid SCHEMBL20943288 0.75 TDP1 (0.37) SMN1; SMN2

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-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed