SCHEMBL6132388

SCHEMBL6132388

COC1(c2ccc(Cl)cc2)CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
ALOX12 P18054 2/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
GFER P55789 4/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 2/20 0.42
ADRA2C P18825 1/20 0.42
PTK2B Q14289 1/20 0.42
ESR2 Q92731 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 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
SCHEMBL6132759 0.86 DRD2 (0.43) SMN1; SMN2LMNADRD2DRD4DRD3
SCHEMBL6132525 0.84 ADRB1 (0.61) DRD2DRD4DRD3HTTTP53
Hydrochloric Acid SCHEMBL6132311 0.83 ADRB1 (0.59) DRD2DRD4DRD3HTTTP53
SCHEMBL6132931 0.80 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNAGAA
Hydrochloric Acid SCHEMBL6132929 0.79 ENPP2 (0.50) MAPTALDH1A1SMN1; SMN2LMNADRD2
SCHEMBL13716755 0.78 CCR3 (0.49) MAPTALDH1A1SMN1; SMN2LMNAALOX12
SCHEMBL29638934 0.77 OPRM1 (0.47) ALDH1A1LMNADRD2DRD4DRD3
SCHEMBL1284884 0.77 OPRM1 (0.44) MAPTALDH1A1LMNADRD2DRD4
SCHEMBL28819411 0.76 DRD2 (0.46) ALDH1A1SMN1; SMN2DRD2DRD4DRD3
SCHEMBL6132250 0.76 SMN1; SMN2 (0.59) MAPTALDH1A1SMN1; SMN2LMNAKMT2A

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