Cyclopropane

Cyclopropane

SCHEMBL9507570

C1CC1.OC(=S)NCCOc1ccc(Oc2cccc(F)c2)cc1

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.46
FFAR1 O14842 2/20 0.46
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
EPHX2 P34913 1/20 0.42
CACNA1B Q00975 3/20 0.42
KDM4E B2RXH2 1/20 0.41
SIRT5 Q9NXA8 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.39
MMP2 P08253 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
SCHEMBL9730441 0.83 ABL1 (0.46) FFAR4FFAR1HTR2CHTR2BNPC1
SCHEMBL11305595 0.82 MTNR1A (0.56) NPC1RAB9ASMN1; SMN2KDM4EMTNR1A
SCHEMBL10828131 0.80 FFAR4 (0.56) FFAR4FFAR1RAB9AKDM4ESIRT5
SCHEMBL10828204 0.78 L3MBTL1 (0.57) MTNR1AMTNR1BHPGD
SCHEMBL3363396 0.76 MTNR1A (0.62) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL10926665 0.76 MAPT (0.48) FFAR4FFAR1NPC1RAB9AKDM4E
SCHEMBL10880149 0.76 FFAR1 (0.44) FFAR4FFAR1RAB9ASMN1; SMN2CACNA1B
SCHEMBL9713896 0.75 FFAR4 (0.59) FFAR4FFAR1CACNA1BMMP2MMP3
SCHEMBL10879494 0.74 FFAR1 (0.42) FFAR4FFAR1HTR2CHTR2BCACNA1B
SCHEMBL9869869 0.73 FFAR1 (0.53) FFAR4FFAR1CACNA1BMMP2MMP3

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-0412391-B1 CYCLOPROPANE THIOCARBOXYLIC ACID AMIDES BASF Aktiengesellschaft (DE) 1993-09-29 EP disclosed
EP-0412391-A1 Cyclopropane thiocarboxylic acid amides BASF Aktiengesellschaft (DE) 1991-02-13 EP disclosed