SCHEMBL10467652

SCHEMBL10467652

CSCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 13/20 0.47
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.41
SIRT1 Q96EB6 3/20 0.41
SIRT3 Q9NTG7 3/20 0.41
MLNR O43193 1/20 0.41
TACR2 P21452 1/20 0.40

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
SCHEMBL10467651 1.00 CXCR4 (0.47) CXCR4GAAKMT2ASIRT2SIRT1
SCHEMBL10868131 0.91 GAA (0.43) CXCR4GAAKMT2A
SCHEMBL12065126 0.83 GAA (0.53) GAAKMT2A
SCHEMBL16500666 0.83 GAA (0.53) GAAKMT2A
SCHEMBL10467641 0.83 GAA (0.53) GAAKMT2A
SCHEMBL10469198 0.78 GAA (0.39) GAAKMT2A
SCHEMBL10466629 0.78 MMP1 (0.44) TACR2
SCHEMBL10466004 0.78 SSTR4 (0.43) MLNR
SCHEMBL10467399 0.76 MAPT (0.48) GAAKMT2AMLNR
SCHEMBL10468604 0.76 KMT2A (0.56) GAAKMT2A

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
US-4940709-A PLATELET ACTIVATING FACTOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-10 US disclosed
EP-0181152-B1 PIPERAZINE COMPOUND AS PAF-ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-13 EP disclosed
US-4806538-A ANTICOAGULANT, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-02-21 US disclosed
EP-0181152-A1 Piperazine compound as PAF-antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed