SCHEMBL9417348

SCHEMBL9417348

CN(C)CCCNC1CCCCCCCCCCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CXCR4 P61073 11/20 0.46
CXCL12 P48061 1/20 0.44
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 2/20 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
SCHEMBL3536329 1.00 PKM (0.47) PKMSIGMAR1CXCR4CXCL12KDM4E
Acetic Acid SCHEMBL9714221 0.89 CXCR4 (0.45) PKMSIGMAR1CXCR4KDM4EKMT2A
SCHEMBL9417365 0.89 SIGMAR1 (0.42) PKMSIGMAR1CXCR4CXCL12KDM4E
SCHEMBL9417354 0.89 SIGMAR1 (0.42) PKMSIGMAR1CXCR4CXCL12KDM4E
SCHEMBL172975 0.87 PKM (0.55) PKMSIGMAR1CXCR4CXCL12KDM4E
SCHEMBL14107151 0.85 PKM (0.52) PKMSIGMAR1CXCR4CXCL12KDM4E
SCHEMBL13744511 0.82 ALDH1A1 (0.49) PKMSIGMAR1CXCR4KDM4EKMT2A
SCHEMBL8851659 0.80 KMT2A (0.38) PKMSIGMAR1CXCR4KMT2ASMN1; SMN2
SCHEMBL8851721 0.80 GNAI3 (0.58) SIGMAR1CXCR4KMT2ASMN1; SMN2
SCHEMBL9452575 0.80 KMT2A (0.50) CXCR4CXCL12KDM4EKMT2A

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 9 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-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