SCHEMBL11325518

SCHEMBL11325518

CCC1(C(N)=O)CCCCC1(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP4 P27487 1/20 0.38
PRCP P42785 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HDAC4 P56524 2/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HSD11B1 P28845 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 1/20 0.36
CETP P11597 1/20 0.36

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
SCHEMBL518236 0.81 AKR1C1 (0.40) OPRM1AKR1C1DPP4PRCPSIGMAR1
SCHEMBL6472118 0.78 AKR1C1 (0.38) OPRM1AKR1C1DPP4PRCPSIGMAR1
SCHEMBL5538611 0.78 AKR1C1 (0.38) OPRM1AKR1C1MEN1KMT2ADPP4
SCHEMBL11307986 0.78 AKR1C1 (0.46) AKR1C1MEN1KMT2AHDAC4HSD11B1
Hydrochloric Acid SCHEMBL6926723 0.77 ALDH1A1 (0.39) OPRM1AKR1C1MEN1KMT2APRCP
SCHEMBL2432531 0.76 TSHR (0.42) OPRM1AKR1C1MEN1KMT2APRCP
SCHEMBL2432100 0.75 TSHR (0.44) OPRM1MEN1KMT2APRCPSIGMAR1
SCHEMBL6470519 0.74 TACR1 (0.35) OPRM1AKR1C1MEN1KMT2APRCP
SCHEMBL21439763 0.74 SLC6A4 (0.40) OPRM1MEN1KMT2APOLBLMNA
SCHEMBL28149790 0.68 AKR1C1 (0.46) AKR1C1MEN1KMT2ADPP4HDAC4

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
US-4287212-A USEFUL AS ANALGESICS AND DIURETICS AMERICAN HOECHST CORPORATION (US) 1981-09-01 US disclosed