Pentane

Pentane

SCHEMBL28136158

CCCCC.Fc1cc(F)cc(CBr)c1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
TRPV1 Q8NER1 1/20 0.34
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
PSMD14 O00487 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
MC4R P32245 1/20 0.31
RAD52 P43351 1/20 0.31
HTR7 P34969 1/20 0.31
SKP2 Q13309 1/20 0.31
CYP3A4 P08684 1/20 0.30
PTGS2 P35354 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL120092 0.85 IDO1 (0.46) IDO1TSHR
SCHEMBL5733912 0.85 IDO1 (0.46) IDO1TSHR
SCHEMBL5487052 0.85 IDO1 (0.46) IDO1TSHR
SCHEMBL11029571 0.83 IDO1 (0.44) IDO1TSHR
SCHEMBL31139277 0.80 IDO1 (0.40) IDO1TSHR
SCHEMBL13226845 0.79 PTGS2 (0.37) IDO1LMNAPTGS2
SCHEMBL4197444 0.76 NPC1 (0.50) IDO1TRPV1SKP2CYP3A4PTGS2
SCHEMBL9243315 0.74 PTGS2 (0.56) TRPV1LMNACYP3A4PTGS2HPGD
SCHEMBL2924850 0.74 ACHE (0.36) IDO1
Ethyne SCHEMBL28900275 0.73 NPC1 (0.47) IDO1TRPV1SKP2CYP3A4PTGS2

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
CN-106928247-A Spiral shell oxindole compounds and its purposes as therapeutic agent 泽农医药公司 2017-07-07 CN disclosed
CN-103664973-B Spiro-oxindole compounds and their use as therapeutic agents 泽农医药公司 2017-04-19 CN disclosed