SCHEMBL29035348

SCHEMBL29035348

COC(=O)C1CCCN1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.48
LTA4H P09960 2/20 0.48
KMT2A Q03164 1/20 0.48
FKBP1A P62942 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OGFRL1 Q5TC84 1/20 0.46
ALOX5 P09917 1/20 0.45
SLC6A4 P31645 2/20 0.44
FFAR1 O14842 1/20 0.44
MMP2 P08253 1/20 0.44
ANPEP P15144 1/20 0.44
ALDH1A1 P00352 1/20 0.43
BACE1 P56817 2/20 0.43
PORCN Q9H237 2/20 0.43
FPR2 P25090 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 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
SCHEMBL26246339 1.00 SCN9A (0.48) SCN9ALTA4HKMT2AFKBP1AOPRM1
Hydrochloric Acid SCHEMBL29289926 0.98 SCN9A (0.47) SCN9ALTA4HKMT2AFKBP1AOPRM1
SCHEMBL27551310 0.95 FKBP1A (0.47) SCN9ALTA4HKMT2AFKBP1AOPRM1
SCHEMBL29671561 0.95 FKBP1A (0.47) SCN9ALTA4HKMT2AFKBP1AOPRM1
SCHEMBL29671593 0.90 KMT2A (0.47) LTA4HKMT2AFKBP1ASLC6A4MMP2
SCHEMBL2770443 0.90 KMT2A (0.47) LTA4HKMT2AFKBP1ASLC6A4MMP2
SCHEMBL30940176 0.86 FFAR1 (0.41) SCN9ALTA4HOPRM1OPRD1OPRK1
SCHEMBL26246271 0.86 FFAR1 (0.41) SCN9ALTA4HOPRM1OPRD1OPRK1
SCHEMBL28703151 0.85 FFAR1 (0.46) KMT2AFFAR1ALDH1A1BACE1PORCN
SCHEMBL28321864 0.85 FFAR1 (0.46) KMT2AFFAR1ALDH1A1BACE1PORCN

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-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 CN disclosed
CN-113563245-A Substituted pyrrolidine compounds and application thereof in medicines 广东东阳光药业有限公司 2021-10-29 CN disclosed