SCHEMBL8564858

SCHEMBL8564858

C[C@H]1CNC[C@H]1NC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 11/20 0.44
SSTR1 P30872 8/20 0.44
HPSE Q9Y251 1/20 0.38
MLYCD O95822 1/20 0.35
HTT P42858 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
FUCA1 P04066 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA2 P00918 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL9023168 0.98 SSTR4 (0.43) SSTR4SSTR1HPSEMLYCDHTT
Hydrochloric Acid SCHEMBL9023159 0.98 SSTR4 (0.43) SSTR4SSTR1HPSEMLYCDHTT
Hydrochloric Acid SCHEMBL9023163 0.98 SSTR4 (0.43) SSTR4SSTR1HPSEMLYCDHTT
SCHEMBL25321423 0.84 SSTR4 (0.60) SSTR4SSTR1HPSEMLYCD
SCHEMBL13354538 0.84 SSTR4 (0.60) SSTR4SSTR1HPSEMLYCD
SCHEMBL12280155 0.84 SSTR4 (0.60) SSTR4SSTR1HPSEMLYCD
SCHEMBL25321427 0.84 SSTR4 (0.60) SSTR4SSTR1HPSEMLYCD
SCHEMBL18247483 0.84 SSTR4 (0.47) SSTR4SSTR1HPSEMLYCD
SCHEMBL25294434 0.78 FUCA1 (0.38) SSTR4SSTR1FUCA1
SCHEMBL4716820 0.78 FUCA1 (0.38) SSTR4SSTR1FUCA1

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
US-5837868-A REACTION OF DIHYDROXY OLEFINS IN A MULTISTAGE PROCESS ARYL METHYLAMINE TO FORM PYRROLIDINE INTERMEDIATE ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5703244-A CYCLIZATION OF DIHYDROXY OLEFINS WITH TARTRATE ESTER IN PRESENCE OF TITANIUM ISOPROPOXIDE AND TERT-BUTYL HYDROPEROXIDE ABBOTT LABORATORIES (US) 1997-12-30 US disclosed