SCHEMBL5966083

SCHEMBL5966083

CCC(c1cccnc1)C1CCCN(C(=O)C(=O)c2ccccc2)C1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.44
ACE P12821 1/20 0.39
PREP P48147 3/20 0.38
FAP Q12884 2/20 0.38
AGTR2 P50052 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KCNK3 O14649 1/20 0.36

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
SCHEMBL5965964 0.90 FKBP1A (0.39) FKBP1AACEDPP4DPP8
SCHEMBL5966055 0.85 FKBP1A (0.49) FKBP1A
SCHEMBL5966154 0.77 FKBP1A (0.45) FKBP1A
SCHEMBL7940809 0.76 FKBP1A (0.44) FKBP1AKDM4EALDH1A1HPGDKMT2A
SCHEMBL5966088 0.72 FKBP1A (0.60) FKBP1AACE
SCHEMBL5966105 0.70 FKBP1A (0.39) FKBP1AACEDPP4DPP8KCNK3
SCHEMBL7426919 0.70 FKBP1A (0.53) FKBP1AKDM4EMEN1ALDH1A1HPGD
SCHEMBL7469127 0.68 FKBP1A (0.42) FKBP1AACEKDM4EALDH1A1
SCHEMBL5700583 0.67 FKBP1A (0.53) FKBP1A
SCHEMBL8552264 0.65 ALDH1A1 (0.57) FKBP1AACEALDH1A1KMT2ASMN1; SMN2

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
EP-1227859-B1 NEUROPHILIN LIGANDS FOR TREATING OCULAR CONDITIONS ALCON INC (CH) 2006-08-09 EP claimed
EP-0777478-B1 INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-07 EP claimed