SCHEMBL9115252

SCHEMBL9115252

O=C(c1cnoc1-c1ccc(C(F)(F)F)cc1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.47
DHODH Q02127 2/20 0.43
NPC1 O15118 1/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
THRB P10828 1/20 0.43
PIM1 P11309 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
AGTR1 P30556 1/20 0.43
CCKBR P32239 1/20 0.43
MC4R P32245 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43

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
SCHEMBL9113721 0.86 RXRA (0.37) TRPV1DHODHNPC1GMNNLMNA
SCHEMBL9115919 0.82 RAB9A (0.44) TRPV1NPC1RAB9ASMN1; SMN2CYP11B1
SCHEMBL3541658 0.81 NPC1 (0.48) TRPV1DHODHNPC1GMNNLMNA
SCHEMBL8045015 0.81 HCRTR1 (0.33) TRPV1NPC1LMNARAB9ANPSR1
SCHEMBL9114552 0.78 DHODH (0.43) DHODHNPC1RAB9ACYP11B1CYP11B2
SCHEMBL8108797 0.78 HCRTR1 (0.37) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL9117214 0.78 SMN1; SMN2 (0.43) NPC1LMNAHTTRAB9ASMN1; SMN2
SCHEMBL8109638 0.77 PTGS2 (0.41)
SCHEMBL8100359 0.76 HCRTR1 (0.36) NPC1LMNAHTTRAB9ASMN1; SMN2
SCHEMBL8109508 0.76 NPC1 (0.44) NPC1LMNACYP1A2CYP3A4SLC6A2

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-1995022904-A1 PESTICIDAL METHOD RHONE POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed