SCHEMBL16480419

SCHEMBL16480419

CC1CCCN1C1=CC(=O)CCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.49
SRD5A1 P18405 2/20 0.37
SRD5A2 P31213 2/20 0.37
CHRM4 P08173 3/20 0.34
AR P10275 3/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
JAK3 P52333 1/20 0.33
TP53 P04637 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
SCHEMBL1432868 0.84 MAPT (0.38) MAPTALDH1A1KMT2ACHRM4AR
SCHEMBL9891823 0.79 MAPT (0.47) MAPTALDH1A1KMT2ASRD5A1SRD5A2
SCHEMBL9893050 0.79 MAPT (0.47) MAPTALDH1A1KMT2ASRD5A1SRD5A2
SCHEMBL16480458 0.76 MAPT (0.57) MAPTALDH1A1KMT2ASRD5A1SRD5A2
SCHEMBL28790486 0.74 MAPT (0.69) MAPTALDH1A1KMT2ASRD5A1GAA
SCHEMBL24421824 0.67 MAPT (0.87) MAPTALDH1A1KMT2ASRD5A1HPGD
SCHEMBL14950848 0.67 SMN1; SMN2 (0.34) MAPTALDH1A1KMT2ACHRM4GAA
SCHEMBL22606166 0.66 ALDH1A1 (0.83) MAPTALDH1A1KMT2AHPGD
SCHEMBL13695430 0.64 PDK2 (0.47) ALDH1A1CHRM4ARJAK3
SCHEMBL6435838 0.64 SRD5A1 (0.48) MAPTALDH1A1KMT2ASRD5A1SRD5A2

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed