SCHEMBL9887516

SCHEMBL9887516

CN1CCCC1CCNC(=O)I

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.50
ALDH1A1 P00352 1/20 0.48
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
CHRM4 P08173 1/20 0.43
CYP1A2 P05177 1/20 0.42
POLR1A O95602 1/20 0.40
CHRM3 P20309 1/20 0.39
GLS O94925 1/20 0.39
APP P05067 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL49464 0.85 ACKR3 (0.51) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL6395379 0.85 ACKR3 (0.51) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL424247 0.83 ALDH1A1 (0.48) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL7963540 0.83 ALDH1A1 (0.48) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL12156865 0.82 ACKR3 (0.52) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL12155765 0.81 DPP4 (0.46) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL13817510 0.81 FPR3 (0.47) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL12788561 0.81 ACKR3 (0.46) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL27257877 0.80 ACKR3 (0.56) ACKR3ALDH1A1FPR3FPR2CHRM4
SCHEMBL16451033 0.78 ACKR3 (0.46) ACKR3ALDH1A1FPR3FPR2CHRM4

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
WO-2012074968-A1 METHODS OF REDUCING RISK OF HEPATOBILIARY DYSFUNCTION DURING RAPID WEIGHT LOSS WITH METAP-2 INHIBITORS ZAFGEN CORPORATION (US) 2012-06-07 WO disclosed