SCHEMBL8039196

SCHEMBL8039196

CC(C)(C)[Si](C)(C)Oc1ccc(C#N)cc1CN1CC[C@H](N)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
SSTR4 P31391 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
FNTA P49354 5/20 0.32
FNTB P49356 5/20 0.32
PGGT1B P53609 4/20 0.32
KDM1A O60341 7/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KCNH2 Q12809 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL8039194 0.87 SSTR4 (0.34) OPRM1OPRL1SSTR4FNTAFNTB
SCHEMBL7424077 0.78 KDM4E (0.35) FNTAFNTBPGGT1BKDM4EALDH1A1
SCHEMBL7423151 0.78 KDM4E (0.35) FNTAFNTBPGGT1BKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7423721 0.77 KDM4E (0.35) FNTAFNTBPGGT1BKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8040100 0.77 KDM4E (0.35) FNTAFNTBPGGT1BKDM4EALDH1A1
SCHEMBL8040958 0.76 KDM1A (0.36) FNTAFNTBPGGT1BKDM1AKDM4E
SCHEMBL8039170 0.76 HCRTR1 (0.41) FNTAFNTBPGGT1BKDM1AKDM4E
SCHEMBL7425272 0.76 KDM1A (0.36) FNTAFNTBPGGT1BKDM1AKDM4E
Hydrochloric Acid SCHEMBL8029623 0.75 HCRTR1 (0.41) FNTAFNTBPGGT1BKDM1AKDM4E
Hydrochloric Acid SCHEMBL7420338 0.75 HCRTR1 (0.41) FNTAFNTBPGGT1BKDM1AKDM4E

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-6034093-A Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-03-07 US disclosed