SCHEMBL9047435

SCHEMBL9047435

Clc1ccc(CCC=CBr)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
SIGMAR1 Q99720 14/20 0.46
IDO1 P14902 3/20 0.46
IGF1R P08069 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2D6 P10635 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11637635 0.83 PNMT (0.50) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL11637638 0.83 PNMT (0.50) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL95779 0.81 PNMT (0.48) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL9147471 0.78 TAAR1 (0.46) TAAR1IDO1IGF1RALOX15
SCHEMBL9147464 0.78 TAAR1 (0.46) TAAR1IDO1IGF1RALOX15
SCHEMBL15960055 0.76 PNMT (0.55) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL1150953 0.76 PNMT (0.55) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL17188639 0.76 PNMT (0.55) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL95777 0.75 PNMT (0.46) PNMTTAAR1SIGMAR1IDO1IGF1R
SCHEMBL95778 0.75 PNMT (0.46) PNMTTAAR1SIGMAR1IDO1IGF1R

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-0734383-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1996-10-02 EP disclosed