SCHEMBL14723948

SCHEMBL14723948

CNC(=O)CCN1CCC(CCCC2CCNCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.49
ITGA2B P08514 11/20 0.49
GNAO1 P09471 3/20 0.49
GNAI3 P08754 2/20 0.44
GNAI1 P63096 2/20 0.44
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
HTR4 Q13639 1/20 0.38
F2R P25116 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37

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
SCHEMBL7287283 0.82 ITGB3 (0.65) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL485662 0.82 FAAH (0.44) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL12324733 0.81 ITGB3 (0.52) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL16122917 0.80 ALDH1A1 (0.46) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL11033869 0.78 CHRM5 (0.47) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL6230136 0.78 TNKS2 (0.45) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL7276429 0.77 ITGB3 (0.70) ITGB3ITGA2BGNAO1GNAI3GNAI1
Hydrochloric Acid SCHEMBL6229688 0.77 TNKS2 (0.44) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL19487702 0.76 ALDH1A1 (0.43) GNAO1GNAI3GNAI1POLBHTT
SCHEMBL25134502 0.76 SIGMAR1 (0.48) GNAO1HTTCHRM5DRD2CHRM3

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-8383153-B2 Poly(amidoamine) oligomer hydrogel for drug delivery and drug carrier using the same SUNGYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2013-02-26 US disclosed
US-8383153-B2 Poly(amidoamine) oligomer hydrogel for drug delivery and drug carrier using the same SUNGYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2013-02-26 US disclosed