SCHEMBL6132476

SCHEMBL6132476

COC1(c2ccccc2)CCN(c2ccc(N3CCN(C(C)=O)CC3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.58
MAPK1 P28482 5/20 0.56
CYP2C19 P33261 4/20 0.56
ALOX12 P18054 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 2/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP2C9 P11712 2/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 5/20 0.53
GFER P55789 2/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.53
CASP6 P55212 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL18711613 0.87 SCD5 (0.56) USP2MAPK1CYP2C19ALOX12ALDH1A1
Hydrochloric Acid SCHEMBL6132329 0.84 OPRM1 (0.47) USP2MAPK1CYP2C19ALOX12ALDH1A1
SCHEMBL6132853 0.79 ALDH1A1 (0.53) MAPK1CYP2C19ALDH1A1CYP1A2CYP2C9
SCHEMBL6132334 0.78 ADRB1 (0.54) USP2CYP2C19ALDH1A1HSD17B10MAPT
SCHEMBL4670098 0.78 USP2 (0.72) USP2MAPK1CYP2C19ALOX12ALDH1A1
SCHEMBL17220377 0.77 SCD5 (0.57) USP2MAPK1CYP2C19ALDH1A1CYP1A2
SCHEMBL2881063 0.75 SMN1; SMN2 (0.65) USP2MAPK1CYP2C19ALOX12ALDH1A1
Hydrochloric Acid SCHEMBL6132929 0.73 ENPP2 (0.50) USP2ALDH1A1HPGDMAPTLMNA
SCHEMBL6132956 0.73 USP2 (0.69) USP2MAPK1CYP2C19ALOX12ALDH1A1
SCHEMBL6132250 0.72 SMN1; SMN2 (0.59) MAPK1CYP2C19ALDH1A1MAPTALOX15

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