SCHEMBL11317564

SCHEMBL11317564

CCCNC(=O)CCC1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 4/20 0.43
GNAO1 P09471 4/20 0.43
GNAI1 P63096 4/20 0.43
ITGB3 P05106 10/20 0.43
ITGA2B P08514 10/20 0.43
F2R P25116 4/20 0.41
TNKS2 Q9H2K2 1/20 0.41
EPHX1 P07099 1/20 0.41
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 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
SCHEMBL6393777 0.88 ALDH1A1 (0.44) EPHX1ALDH1A1
SCHEMBL11981542 0.87 ITGB3 (0.46) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL11312652 0.83 EPHX1 (0.47) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL8848118 0.83 HPGD (0.56) EPHX1ALDH1A1
SCHEMBL11690 0.79 MEN1 (0.45) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL6230136 0.79 TNKS2 (0.45) GNAI3GNAO1GNAI1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL28212505 0.78 ALOX15 (0.49) GNAI3GNAO1GNAI1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6229688 0.77 TNKS2 (0.44) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL5650328 0.77 ITGB3 (0.47) GNAI3GNAO1GNAI1ITGB3ITGA2B
SCHEMBL27401877 0.76 ITGB3 (0.41) GNAI3GNAO1GNAI1ITGB3ITGA2B

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-4289772-A PHOSPHODIESTERASE INHIBITORS PFIZER INC. (US) 1981-09-15 US disclosed