SCHEMBL7275582

SCHEMBL7275582

C=CC[C@@H]1C[C@@H](CO)N(CCc2cccc3ccccc23)C1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
BLM P54132 1/20 0.40
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
SLC18A2 Q05940 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ATM Q13315 1/20 0.39
DAO P14920 1/20 0.37

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
SCHEMBL7281089 0.89 MAPT (0.42) MAPTTDP1KDM4ENPC1KMT2A
SCHEMBL7285178 0.85 ADRA1D (0.40) MAPTTDP1KDM4ENPC1KMT2A
SCHEMBL7274544 0.84 MAPT (0.39) MAPTTDP1KDM4ENPC1KMT2A
SCHEMBL7279479 0.82 MAPT (0.36) MAPTTDP1KDM4ENPC1KMT2A
SCHEMBL7275324 0.77 CHRNB4 (0.39) NPC1KMT2A
SCHEMBL7283442 0.76 GAA (0.39) TDP1NPC1KMT2A
SCHEMBL7274916 0.74 DRD2 (0.41) MAPT
SCHEMBL7283123 0.72 TEAD3 (0.42) MAPTKMT2A
SCHEMBL7272672 0.70 ALDH1A1 (0.39) MAPTKMT2A
SCHEMBL7276128 0.69 LTA4H (0.46) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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