SCHEMBL4613765

SCHEMBL4613765

CC1C(c2ccccc2)CCCN1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.48
▸ SIGMAR1 Q99720 2/20 0.45
▸ UTS2R Q9UKP6 3/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC9A1 P19634 1/20 0.41
▸ HRH3 Q9Y5N1 5/20 0.41
▸ HSD11B1 P28845 1/20 0.40

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
SCHEMBL23123430 0.88 RIPK1 (0.50) RIPK1SIGMAR1UTS2RCNR2POLB
SCHEMBL24700138 0.79 RIPK1 (0.52) RIPK1CNR2L3MBTL1
SCHEMBL4776278 0.78 RIPK1 (0.65) RIPK1HSD11B1
SCHEMBL28188380 0.75 RIPK1 (0.47) RIPK1UTS2R
SCHEMBL486204 0.73 MAPT (0.49) POLBL3MBTL1
SCHEMBL23139723 0.73 RIPK1 (0.43) RIPK1UTS2RCNR2HRH3
SCHEMBL938757 0.73 RIPK1 (0.59) RIPK1HSD11B1
SCHEMBL7977029 0.73 HTR1A (0.58) RIPK1SIGMAR1POLBL3MBTL1
SCHEMBL23124099 0.73 EPHX2 (0.67) HRH3
SCHEMBL25322924 0.71 PRMT5 (0.58) RIPK1POLB

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-1910292-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2008-04-16 — — EP disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 — — WO disclosed
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