SCHEMBL19630044

SCHEMBL19630044

CCCCCN1CCN(C(C)CCCC)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 4/20 0.48
GNAO1 P09471 4/20 0.48
GNAI1 P63096 4/20 0.48
USP2 O75604 1/20 0.41
DRD3 P35462 1/20 0.40
HTR1A P08908 1/20 0.40
KDM4E B2RXH2 2/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
GAA P10253 1/20 0.39
GUSB P08236 2/20 0.39
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL7991668 0.96 GNAI3 (0.48) GNAI3GNAO1GNAI1DRD3HTR1A
SCHEMBL8975798 0.88 MAOB (0.40) KDM4E
SCHEMBL19634914 0.86 GNAI3 (0.41) GNAI3GNAO1GNAI1USP2DRD3
SCHEMBL28122630 0.85
SCHEMBL24036450 0.84 MEN1 (0.39) GNAI3GNAO1GNAI1USP2KDM4E
SCHEMBL9070252 0.83 OPRM1 (0.44) KDM4ELMNA
SCHEMBL11809824 0.82 TP53 (0.43) GNAI3GNAO1GNAI1KDM4ES1PR1
SCHEMBL13261424 0.82 GNAI3 (0.53) GNAI3GNAO1GNAI1DRD3KDM4E
SCHEMBL803602 0.82 KDM2B (0.39) GNAI3GNAO1GNAI1USP2DRD3
SCHEMBL23919485 0.81 MAOB (0.41) GNAI3GNAO1GNAI1USP2KDM4E

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
WO-2017201342-A1 POLYNUCLEOTIDES ENCODING JAGGED1 FOR THE TREATMENT OF ALAGILLE SYNDROME MODERNATX, INC. (US) 2017-11-23 WO disclosed