SCHEMBL7274062

SCHEMBL7274062

C=CC[C@@H]1C[C@@H](CO)N(CCc2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 6/20 0.36
OPRM1 P35372 5/20 0.36
KCNH2 Q12809 2/20 0.36
MTNR1A P48039 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GBA1 P04062 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL7275478 0.93 CHRNB4 (0.39) ALDH1A1MEN1KMT2ASIGMAR1GAA
SCHEMBL7275324 0.93 CHRNB4 (0.39) ALDH1A1MEN1KMT2ASIGMAR1GAA
SCHEMBL7283442 0.92 GAA (0.39) MEN1KMT2ASIGMAR1GAAGBA1
SCHEMBL7272672 0.88 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASIGMAR1OPRM1
SCHEMBL7273849 0.87 TSHR (0.41) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7283004 0.86 SLC6A4 (0.40)
SCHEMBL7283123 0.85 TEAD3 (0.42) MEN1KMT2AGAAGBA1
SCHEMBL7276128 0.83 LTA4H (0.46) MEN1KMT2AHTT
SCHEMBL7281899 0.82 CASP3 (0.43) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL7281928 0.82 F2 (0.36) ALDH1A1MEN1KMT2ASIGMAR1OPRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed