SCHEMBL9417417

SCHEMBL9417417

NCCCCCCN1CCC1

nearest known ligand 0.90

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.62
KEAP1 Q14145 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
ALOX15 P16050 1/20 0.46
CXCR4 P61073 1/20 0.45
MAPT P10636 1/20 0.43
DNM1 Q05193 1/20 0.42

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
SCHEMBL855216 0.97
SCHEMBL8554508 0.95 HRH3 (0.70) HRH3KEAP1SMN1; SMN2SIGMAR1ALOX15
SCHEMBL6347703 0.95 HRH3 (0.70) HRH3KEAP1SMN1; SMN2SIGMAR1ALOX15
SCHEMBL854695 0.95 HRH3 (0.70) HRH3KEAP1SMN1; SMN2SIGMAR1ALOX15
SCHEMBL11179088 0.95 HRH3 (0.70) HRH3KEAP1SMN1; SMN2SIGMAR1ALOX15
SCHEMBL21799578 0.92 HRH3 (0.75) HRH3KEAP1SMN1; SMN2SIGMAR1ALOX15
Hydrazine SCHEMBL8556857 0.92 HRH3 (0.67) HRH3KEAP1SMN1; SMN2SIGMAR1ALOX15
SCHEMBL21799504 0.92 HRH3 (0.75) HRH3KEAP1SMN1; SMN2SIGMAR1ALOX15
SCHEMBL21799790 0.92 HRH3 (0.75) HRH3KEAP1SMN1; SMN2SIGMAR1ALOX15
SCHEMBL7230416 0.92 HRH3 (0.75) HRH3KEAP1SMN1; SMN2SIGMAR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5373095-A Steroid compounds THE UPJOHN COMPANY (US) 1994-12-13 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