SCHEMBL7852895

SCHEMBL7852895

CCCNN1CCC(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT1 Q99873 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
ACHE P22303 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL28907788 0.87 GNAI3 (0.47) CARM1PRMT6PRMT1PRMT8GNAI3
SCHEMBL26756804 0.85 GNAI3 (0.55) CARM1PRMT6PRMT1PRMT8GNAI3
SCHEMBL7855660 0.82 GNAI3 (0.37) GNAI3GNAO1GNAI1
SCHEMBL20072865 0.80 GNAI3 (0.36) GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL7854064 0.80 GNAI3 (0.36) GNAI3GNAO1GNAI1
SCHEMBL7857669 0.80 CARM1 (0.41) CARM1PRMT6PRMT1PRMT8ALDH1A1
SCHEMBL20000752 0.80
SCHEMBL8778709 0.80 GNAI3 (0.45) GNAI3GNAO1GNAI1
SCHEMBL3326166 0.75
SCHEMBL28503023 0.75

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
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed