SCHEMBL8699720

SCHEMBL8699720

CCCCN1CCCC(C(=O)OCc2ccccc2)C1(N)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.45
PRCP P42785 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR5 P51681 2/20 0.39

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
SCHEMBL7518909 0.71
SCHEMBL1881008 0.71 FKBP1A (0.61) FKBP1A
SCHEMBL26291061 0.70 FKBP1A (0.60) FKBP1ATSHR
SCHEMBL12869918 0.70 FKBP1A (0.60) FKBP1ATSHR
SCHEMBL13099455 0.70 FKBP1A (0.60) FKBP1ATSHR
SCHEMBL8323846 0.70 TSHR (0.47) FKBP1ATSHRCYP2C19SMN1; SMN2
SCHEMBL28250011 0.69 CHRNB2 (0.54) FKBP1ATSHR
SCHEMBL6380145 0.69 FKBP1A (0.47) FKBP1ATSHRCYP2C19SMN1; SMN2
SCHEMBL29845766 0.69 FKBP1A (0.47) FKBP1ATSHRCYP2C19SMN1; SMN2
SCHEMBL9475212 0.69 FKBP1A (0.59) FKBP1APRCP

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-5741792-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5741799-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed