SCHEMBL8414100

SCHEMBL8414100

O=C(N1CCC(c2ccc(I)cc2)CC1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.47
KDM1A O60341 1/20 0.45
NAMPT P43490 3/20 0.41
RIPK1 Q13546 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
EPHX2 P34913 3/20 0.40
RBP4 P02753 2/20 0.40
EPHX1 P07099 1/20 0.40
QDPR P09417 1/20 0.40
LIPE Q05469 1/20 0.38
PARP10 Q53GL7 1/20 0.38
FAAH O00519 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP2C19 P33261 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
SCHEMBL2452371 0.84 KDM1A (0.48) P2RY14KDM1ANAMPTRIPK1TLR9
SCHEMBL20705482 0.84 RAB9A (0.50) P2RY14KDM1ANAMPTTLR9TLR8
SCHEMBL571141 0.84 KDM1A (0.60) P2RY14KDM1ARIPK1RBP4KCNH2
SCHEMBL15254117 0.83 P2RY14 (0.56) P2RY14KDM1ANAMPTRIPK1TLR9
SCHEMBL20124850 0.82 P2RY14 (0.45) P2RY14KDM1ANAMPTRIPK1TLR9
SCHEMBL571076 0.82 P2RY14 (0.45) P2RY14KDM1ANAMPTRIPK1TLR9
SCHEMBL10243175 0.82 MAPT (0.50) P2RY14KDM1ANAMPTRIPK1TLR9
SCHEMBL571736 0.82 P2RY14 (0.47) P2RY14KDM1ANAMPTRIPK1TLR9
SCHEMBL6126281 0.82 P2RY14 (0.45) P2RY14KDM1ANAMPTRIPK1TLR9
SCHEMBL5694984 0.81 KDM1A (0.45) P2RY14KDM1ANAMPTRIPK1TLR9

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-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed