SCHEMBL9417435

SCHEMBL9417435

C1CCCCCCCC(NCCCNC2CCCCCCCCCCCCCC2)CCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 13/20 0.61
CXCL12 P48061 1/20 0.61
KDM4E B2RXH2 2/20 0.48
RAD52 P43351 1/20 0.47
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL17733777 1.00 CXCR4 (0.61) CXCR4CXCL12KDM4ERAD52HRH4
Hydrochloric Acid SCHEMBL9714202 0.97 CXCR4 (0.59) CXCR4CXCL12KDM4ERAD52HRH4
SCHEMBL11523136 0.97 CXCR4 (0.57) CXCR4CXCL12KDM4ERAD52HRH4
SCHEMBL10939737 0.92 CXCR4 (0.66) CXCR4CXCL12KDM4ERAD52HRH4
SCHEMBL4739261 0.92 CXCR4 (0.53) CXCR4CXCL12KDM4ERAD52HRH4
SCHEMBL4786617 0.92 CXCR4 (0.53) CXCR4CXCL12KDM4ERAD52HRH4
SCHEMBL10604006 0.92 CXCR4 (0.53) CXCR4CXCL12KDM4ERAD52HRH4
SCHEMBL4786588 0.92 CXCR4 (0.53) CXCR4CXCL12KDM4ERAD52HRH4
SCHEMBL841438 0.92 CXCR4 (0.53) CXCR4CXCL12KDM4ERAD52HRH4
SCHEMBL4740704 0.91 CXCR4 (0.52) CXCR4CXCL12KDM4EHRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145874-A Phospholipase inhibitor, hypoglycemic agent, antidiabetic, obesity THE UPJOHN COMPANY (US) 1992-09-08 US claimed
EP-0243449-A1 CYCLIC HYDROCARBONS WITH AN AMINOALKYL SIDECHAIN THE UPJOHN COMPANY (US) 1987-11-04 EP claimed
WO-1987002367-A2 CYCLIC HYDROCARBONS WITH AN AMINOALKYL SIDECHAIN THE UPJOHN COMPANY (US) 1987-04-23 WO claimed
US-5373095-A Steroid compounds THE UPJOHN COMPANY (US) 1994-12-13 US disclosed
US-5334712-A Estrane or androstane pyridinyl alkyl or alkylphenyl amine steroids for antidiabetes and obesity THE UPJOHN COMPANY (US) 1994-08-02 US disclosed
US-5274089-A A estra-1,3,5(10)-triene derivative THE UPJOHN COMPANY (US) 1993-12-28 US disclosed
US-5196542-A Phospholipase A2 inhibitors THE UPJOHN COMPANY (US) 1993-03-23 US disclosed
US-5187299-A Phospholipase inhibitors; treating diabetes, obesity THE UPJOHN COMPANY (US) 1993-02-16 US disclosed
US-5145874-A Phospholipase inhibitor, hypoglycemic agent, antidiabetic, obesity THE UPJOHN COMPANY (US) 1992-09-08 US disclosed
US-4917826-A TREATING DIABETES AND OBESITY THE UPJOHN COMPANY (US) 1990-04-17 US disclosed