SCHEMBL6573908

SCHEMBL6573908

COC(=O)[C@H](C)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
PNMT P11086 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
TACR1 P25103 1/20 0.49
NOS2 P35228 4/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
SLC6A3 Q01959 2/20 0.43
P2RX3 P56373 1/20 0.43
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL8221816 1.00 TSHR (0.55) TSHRPNMTSMN1; SMN2TACR1NOS2
SCHEMBL14033316 0.85 TSHR (0.57) TSHRPNMTSMN1; SMN2TACR1NOS2
SCHEMBL18039209 0.84 TSHR (0.55) TSHRPNMTSMN1; SMN2TACR1NOS2
SCHEMBL3751585 0.83 PNMT (0.56) TSHRPNMTSMN1; SMN2TACR1NOS2
SCHEMBL28739467 0.83 TSHR (0.54) TSHRPNMTSMN1; SMN2TACR1NOS2
SCHEMBL3750165 0.83 PNMT (0.56) TSHRPNMTSMN1; SMN2TACR1NOS2
SCHEMBL3750842 0.83 PNMT (0.56) TSHRPNMTSMN1; SMN2TACR1NOS2
SCHEMBL27588960 0.82 ALDH1A1 (0.53) SMN1; SMN2MEN1MAPK1KMT2ALMNA
SCHEMBL5130053 0.81 PNMT (0.58) TSHRPNMTSMN1; SMN2TACR1SIGMAR1
SCHEMBL6003855 0.81 PNMT (0.58) TSHRPNMTSMN1; SMN2TACR1SIGMAR1

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-1397358-A1 TROPANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2004-03-17 EP disclosed
WO-2002102801-A1 TROPANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2002-12-27 WO disclosed