SCHEMBL6487786

SCHEMBL6487786

FCCCN1CCC[N]CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
SIGMAR1 Q99720 1/20 0.33
MAPT P10636 1/20 0.32
CXCR4 P61073 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6486783 0.91 SIGMAR1 (0.37) HRH3SIGMAR1SMN1; SMN2
SCHEMBL6485505 0.87 HRH3 (0.32) HRH3
SCHEMBL6485116 0.85 HRH3 (0.39) HRH3SIGMAR1MAPTSMN1; SMN2
SCHEMBL2750006 0.85 HRH3 (0.50) HRH3SIGMAR1MAPTCXCR4CYP1A2
SCHEMBL42822 0.80 HRH3 (0.55) HRH3SIGMAR1MAPTCXCR4CYP1A2
SCHEMBL6593644 0.80 HRH3 (0.42) HRH3SIGMAR1MAPTCYP1A2MAPK1
SCHEMBL22915903 0.79
SCHEMBL19273693 0.79
SCHEMBL5950060 0.79 HRH3 (0.39) HRH3MAPTCXCR4CYP1A2MAPK1
SCHEMBL1580535 0.79 HRH3 (0.39) HRH3

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
US-6962911-B2 Pyrrolopyrimidinone derivatives, process of preparation and use SK CHEMICALS CO., LTD. (KR) 2005-11-08 US disclosed
EP-1257553-B1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO LTD (KR) 2004-05-26 EP disclosed