SCHEMBL6860747

SCHEMBL6860747

O=C(O)[N+]1(C2CCNCC2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.40
GABRB2 P47870 3/20 0.40
TSHR P16473 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRE P78334 1/20 0.40
PMP22 Q01453 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
EPHX1 P07099 2/20 0.37
CPN1 P15169 1/20 0.32

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
SCHEMBL2170647 0.84 EPHX1 (0.37) GABRA5GABRB2TSHRGABRA1GABRA4
Hydrochloric Acid SCHEMBL5058258 0.82 EPHX1 (0.36) GABRA5GABRB2TSHRGABRA1GABRA4
SCHEMBL9661170 0.74 MEN1 (0.30) TSHRMEN1KMT2A
SCHEMBL6850315 0.72 GABRA5 (0.36) GABRA5GABRB2TSHRGABRA1GABRA4
SCHEMBL6854245 0.67 EPHX1 (0.33) GABRA5GABRB2TSHRGABRA1GABRA4
SCHEMBL5785736 0.67 EPHX1 (0.33) GABRA5GABRB2TSHRGABRA1GABRA4
SCHEMBL6628424 0.66 APOBEC3A (0.34)
SCHEMBL5744600 0.66 ALDH1A1 (0.30)
SCHEMBL18983618 0.66
SCHEMBL10425659 0.64 MEN1 (0.33) TSHREPHX1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2880046-A1 NOVEL CHARTREUSIN ANALOGUES Leibniz-Institut für Naturstoff-Forschung und Infektionsbiologie (DE) 2015-06-10 EP claimed
WO-2014019685-A1 NOVEL CHARTREUSIN ANALOGUES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE (DE) 2014-02-06 WO claimed
EP-2880046-A1 NOVEL CHARTREUSIN ANALOGUES Leibniz-Institut für Naturstoff-Forschung und Infektionsbiologie (DE) 2015-06-10 EP disclosed
WO-2014019685-A1 NOVEL CHARTREUSIN ANALOGUES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE (DE) 2014-02-06 WO disclosed
EP-1483401-A1 METHOD FOR SELECTING DRUG SENSITIVITY-DETERMINING FACTORS AND METHOD FOR PREDICTING DRUG SENSITIVITY USING THE SELECTED FACTORS F.HOFFMANN-LA ROCHE AG (CH) 2004-12-08 EP disclosed
WO-2003076660-A1 METHOD FOR SELECTING DRUG SENSITIVITY-DETERMINING FACTORS AND METHOD FOR PREDICTING DRUG SENSITIVITY USING THE SELECTED FACTORS F.HOFFMANN-LA ROCHE AG (CH) 2003-09-18 WO disclosed
EP-1126851-A1 PHARMACEUTICAL FORMULATIONS IN HYDROXYPROPYLMETHYLCELLULOSE CAPSULES PHARMACIA & UPJOHN S.p.A. (IT) 2001-08-29 EP disclosed
WO-2001010443-A1 PHARMACEUTICAL FORMULATIONS IN HYDROXYPROPYLMETHYLCELLULOSE CAPSULES PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-15 WO disclosed