SCHEMBL7340235

SCHEMBL7340235

CCCCCCOc1ccc(N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 2/20 0.43
HRH1 P35367 1/20 0.43
MAPT P10636 5/20 0.43
GAA P10253 4/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LTA4H P09960 1/20 0.42
HSD17B10 Q99714 2/20 0.42
PLA2G2A P14555 1/20 0.42
TP53 P04637 1/20 0.42
SLC6A2 P23975 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
SCHEMBL7331216 0.87 HRH3 (0.56) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL6538555 0.87 HRH3 (0.56) ALDH1A1HPGDKDM4EHTTL3MBTL1
Hydrochloric Acid SCHEMBL7339803 0.80 TSHR (0.57) ALDH1A1HPGDHTTMAPTGAA
SCHEMBL7333978 0.76 HPGD (0.49) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL15867095 0.75 LTA4H (0.55) ALDH1A1HPGDHRH3MAPTGAA
SCHEMBL19962765 0.74 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL15019508 0.74 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL6420383 0.74 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL8019608 0.74 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EHTTL3MBTL1
SCHEMBL7849485 0.74 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EHTTL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed