SCHEMBL11099324

SCHEMBL11099324

N#CC1CCC(=O)C(c2ccc(Cl)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.38
USP30 Q70CQ3 3/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP19A1 P11511 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL11206268 0.81 DDB1 (0.47) SLC6A4GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL8018754 0.77 ALDH1A1 (0.45) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL15282087 0.77 SRD5A1 (0.43) SRD5A1SLC6A2SLC6A4SLC6A3POLB
SCHEMBL11093631 0.75 ALDH1A1 (0.42) GAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL11760775 0.72 HTR2A (0.50) SRD5A1SLC6A2SLC6A4SLC6A3
SCHEMBL10177662 0.71 HTR3A (0.42) SRD5A1USP30SLC6A2SLC6A3MAPT
SCHEMBL512106 0.71 SRD5A1 (0.41) SRD5A1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL8029062 0.70 DDB1 (0.46) MAPTKDM4EALDH1A1KMT2A
SCHEMBL1616775 0.69 KDM4E (0.42) SRD5A1MAPTTP53POLBKDM4E
SCHEMBL15874655 0.69 KDM4E (0.42) SRD5A1MAPTTP53POLBKDM4E

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-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed