SCHEMBL29951949

SCHEMBL29951949

O=Cc1ccc(C2CCNCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR2C P28335 6/20 0.41
QDPR P09417 1/20 0.41
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
F2R P25116 1/20 0.36
HTR3A P46098 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CDK4 P11802 2/20 0.35
CDK6 Q00534 2/20 0.35
USP7 Q93009 1/20 0.34

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
SCHEMBL29955701 0.90 HTR3A (0.47) DDB1CRBNHTR3A
SCHEMBL32684974 0.88 KDM4E (0.42) DDB1CRBNKDM4EGLAHTT
SCHEMBL21355057 0.88 KDM4E (0.42) DDB1CRBNKDM4EGLAHTT
SCHEMBL26817536 0.86 HTT (0.49) DDB1CRBNKDM4EGLAHTT
SCHEMBL29958145 0.83 KCNJ1 (0.35) DDB1CRBNKDM4EGLAHTT
SCHEMBL29952339 0.83
SCHEMBL24323731 0.80 F2R (0.38) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL2554218 0.79 CHRNB2 (0.44) KMT2ASMN1; SMN2F2R
SCHEMBL2560247 0.79 CHRNB2 (0.44) KMT2ASMN1; SMN2F2R
SCHEMBL2558561 0.75 CHRNB2 (0.49) KMT2ASMN1; SMN2L3MBTL1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed