SCHEMBL6012279

SCHEMBL6012279

O=C(c1ccccc1)N1CCNCC12CCNCC2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
NAMPT P43490 5/20 0.54
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR2A P28223 1/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 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
SCHEMBL3712349 0.79 SIGMAR1 (0.54) SIGMAR1USP2ALDH1A1TSHRHSD17B10
SCHEMBL27678060 0.77 SIGMAR1 (0.51) SIGMAR1NAMPTUSP2ALDH1A1TSHR
SCHEMBL17888329 0.76 NAMPT (0.59) NAMPTALDH1A1GABRDGABRA1GABRB1
SCHEMBL27696613 0.75 SIGMAR1 (0.50) SIGMAR1NAMPTUSP2ALDH1A1TSHR
SCHEMBL31132974 0.75 NAMPT (0.45) SIGMAR1NAMPTTSHR
SCHEMBL31132790 0.73 KMT2A (0.41) NAMPTALDH1A1
SCHEMBL19226390 0.73 NAMPT (0.56) NAMPTALDH1A1GABRDGABRA1GABRB1
SCHEMBL21078090 0.73 NAMPT (0.56) NAMPTGABRDGABRA1GABRB1GABRA5
SCHEMBL17886798 0.73 NAMPT (0.56) NAMPTALDH1A1
SCHEMBL31413271 0.72 KDM4E (0.52) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119091-B2 Triazaspiro[5.5]undecane derivatives and pharmaceutical compositions comprising thereof, as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-10 US disclosed