SCHEMBL20011760

SCHEMBL20011760

C=C(CC(C)(C)C)N1CCC(CC#N)CC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CFB P00751 2/20 0.43
▸ RIPK1 Q13546 5/20 0.40
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ KCNA3 P22001 1/20 0.31
▸ PRMT5 O14744 2/20 0.31
▸ WDR77 Q9BQA1 2/20 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
SCHEMBL16400851 0.79 CFB (0.46) CFBRIPK1DPP4KDM1A
SCHEMBL16409384 0.79 RIPK1 (0.44) CFBRIPK1
SCHEMBL18927575 0.76 RIPK1 (0.59) RIPK1PRMT5WDR77
SCHEMBL28858375 0.73 CFB (0.58) CFBRIPK1KDM1A
SCHEMBL28065026 0.72 RIPK1 (0.44) CFBRIPK1KDM1A
SCHEMBL23139723 0.66 RIPK1 (0.43) RIPK1DPP4DPP7
SCHEMBL23073833 0.66 DPP4 (0.35) DPP4
SCHEMBL18927447 0.64 RIPK1 (0.44) RIPK1DPP4
SCHEMBL18927572 0.64 RIPK1 (0.59) RIPK1DPP4
SCHEMBL2706444 0.64 RIPK1 (0.48) RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299365-A1 PIPERIDINYL-INDOLE DERIVATIVES COMPLEMENT FACTOR B INHIBITORS AND USES THEREOF Novartis AG (CH) 2018-03-28 — — EP disclosed
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