SCHEMBL6132931

SCHEMBL6132931

COC1(c2ccc(Cl)cc2)CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
SIRT6 Q8N6T7 2/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
ENPP2 Q13822 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CRBN Q96SW2 1/20 0.46
POLB P06746 1/20 0.46
ADRB1 P08588 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45

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 0.80 DRD2 (0.43) KMT2AMEN1ADRB1SMN1; SMN2LMNA
SCHEMBL6132388 0.80 MAPT (0.43) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL6132525 0.79 ADRB1 (0.61) CYP3A4CYP2C9CYP2C19ADRB1
Hydrochloric Acid SCHEMBL6132311 0.78 ADRB1 (0.59) CYP3A4CYP2C9CYP2C19ADRB1
Hydrochloric Acid SCHEMBL6132929 0.77 ENPP2 (0.50) MAPTALDH1A1ENPP2KMT2AMEN1
SCHEMBL3260119 0.76 HSD17B10 (0.42) MAPTALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL11229803 0.75 NPC1 (0.45) SIRT6ALDH1A1ENPP2KMT2AMEN1
SCHEMBL25366550 0.75 SIRT6 (0.67) MAPTSIRT6ALDH1A1GAAKMT2A
SCHEMBL6132250 0.73 SMN1; SMN2 (0.59) MAPTALDH1A1CYP2C19KMT2AMEN1
SCHEMBL7294688 0.73 CCR1 (0.52) MAPTALDH1A1GAAENPP2KMT2A

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