SCHEMBL7285178

SCHEMBL7285178

C=CC[C@@H]1C[C@@H](CN2C(=O)c3ccccc3C2=O)N(CCc2cccc3ccccc23)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1B P35368 3/20 0.40
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 2/20 0.36
ATM Q13315 1/20 0.36
SLC18A2 Q05940 1/20 0.35
BLM P54132 1/20 0.35
DAO P14920 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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 0.85 MAPT (0.42) ADRA1DADRA1AADRA1BMAPTTDP1
SCHEMBL7275582 0.85 MAPT (0.42) ADRA1DADRA1AADRA1BMAPTTDP1
SCHEMBL7281899 0.83 CASP3 (0.43) ADRA1DADRA1AADRA1BMAPTTDP1
SCHEMBL7273909 0.80 TDP1 (0.44) ADRA1DADRA1AADRA1BMAPTTDP1
SCHEMBL7274544 0.80 MAPT (0.39) ADRA1DADRA1AADRA1BMAPTTDP1
SCHEMBL7279479 0.78 MAPT (0.36) ADRA1DADRA1AADRA1BMAPTTDP1
SCHEMBL7283850 0.77 CASP3 (0.41) MAPTKMT2A
SCHEMBL7274079 0.76 CASP3 (0.39) NPC1KMT2ANPSR1
SCHEMBL7276025 0.75 RAB9A (0.47) MAPTTDP1NPC1KMT2ANPSR1
SCHEMBL3242823 0.72 MAPT (0.57) ADRA1DADRA1AADRA1BMAPTTDP1

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