SCHEMBL8097693

SCHEMBL8097693

C(CC1CCNCC1)CC1CCNCC1.C1CC(CCC2CCNCC2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
GNAO1 P09471 3/20 0.46
HRH3 Q9Y5N1 2/20 0.46
SLC6A4 P31645 2/20 0.41
GNAI3 P08754 2/20 0.40
GNAI1 P63096 2/20 0.40
FAAH O00519 1/20 0.39
GBA1 P04062 1/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
NAMPT P43490 1/20 0.36
CYP1A2 P05177 1/20 0.35
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34

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
SCHEMBL237382 0.97 ITGB3 (0.47) ITGB3ITGA2BGNAO1HRH3SLC6A4
Hydrochloric Acid SCHEMBL10840761 0.94 ITGB3 (0.46) ITGB3ITGA2BGNAO1HRH3SLC6A4
SCHEMBL331124 0.91 HRH3 (0.47) ITGB3ITGA2BGNAO1HRH3SLC6A4
SCHEMBL332080 0.91 GNAO1 (0.45) ITGB3ITGA2BGNAO1HRH3SLC6A4
SCHEMBL8728914 0.88 GNAO1 (0.46) ITGB3ITGA2BGNAO1HRH3SLC6A4
SCHEMBL8994016 0.88 GNAO1 (0.46) ITGB3ITGA2BGNAO1HRH3SLC6A4
SCHEMBL8729648 0.88 GNAO1 (0.46) ITGB3ITGA2BGNAO1HRH3SLC6A4
SCHEMBL8732145 0.88 GNAO1 (0.46) ITGB3ITGA2BGNAO1HRH3SLC6A4
SCHEMBL22582330 0.88 GNAO1 (0.46) ITGB3ITGA2BGNAO1HRH3SLC6A4
Hydrochloric Acid SCHEMBL3670602 0.88 GNAO1 (0.48) ITGB3ITGA2BGNAO1HRH3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6083372-A FAST, HIGH RESOLUTION SEPARATIONS WITH INCREASED DETECTABILITY. WATERS INVESTMENTS LIMITED (US) 2000-07-04 US disclosed
WO-1997004308-A1 BUFFER/ADDITIVES ELECTROLYTE COMBINATIONS FOR ELECTROKINETIC CHROMATOGRAPHY WATERS INVESTMENTS LIMITED (US) 1997-02-06 WO disclosed