SCHEMBL6132664

SCHEMBL6132664

CCOC(=O)c1ccc(N2CCN(c3ccc(N4CCC(c5ccccc5)CC4)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.56
FDFT1 P37268 1/20 0.51
P2RX3 P56373 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
METAP1 P53582 1/20 0.50
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
GAA P10253 2/20 0.47
SLC18A3 Q16572 1/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.47
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL2941789 0.91 P2RX3 (0.50) ALDH1A1TSHRFDFT1P2RX3MEN1
SCHEMBL6132342 0.90 ALDH1A1 (0.54) ALDH1A1TSHRP2RX3MEN1KMT2A
SCHEMBL20188098 0.84 HPGD (0.65) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL22015905 0.84 HPGD (0.65) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL3457437 0.81 HPGD (0.55) ALDH1A1TSHRFDFT1MEN1KMT2A
SCHEMBL378276 0.81 TDP1 (0.60) ALDH1A1TSHRFDFT1MEN1KMT2A
SCHEMBL3067260 0.81 ALDH1A1 (0.58) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL6134488 0.81 ALDH1A1 (0.52) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL13328300 0.81 ALDH1A1 (0.59) ALDH1A1TSHRKMT2AKDM4ELMNA
SCHEMBL378149 0.80 HPGD (0.54) ALDH1A1TSHRFDFT1MEN1KMT2A

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-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed