SCHEMBL11280301

SCHEMBL11280301

CN(CCCNC(=O)Nc1ccccc1)CCc1c[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
MAPT P10636 7/20 0.61
GOT1 P17174 7/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
POLB P06746 1/20 0.58
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
ALOX15 P16050 1/20 0.54
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
MAOA P21397 1/20 0.53
ADRA1D P25100 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL734585 0.84 MEN1 (1.00) MEN1KMT2AMAPTGOT1SMN1; SMN2
SCHEMBL11246728 0.81 MEN1 (0.70) MEN1KMT2APOLBCDK4CCND1
SCHEMBL30896267 0.77 HTR2A (0.81) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL17518864 0.76 HTR1A (0.69) MEN1KMT2AALDH1A1CDK4CCND1
SCHEMBL27191681 0.75 CDK4 (0.66) KMT2ACDK4CCND1HTR1AADRA2A
SCHEMBL21073587 0.75 HTR2A (0.68) MEN1KMT2ASMN1; SMN2ALDH1A1CDK4
SCHEMBL10649896 0.74 HTR2A (0.66) MEN1KMT2AALDH1A1CDK4CCND1
SCHEMBL13255471 0.74 HTR1A (0.58) KMT2ASMN1; SMN2CDK4CCND1HTR1A
SCHEMBL10652655 0.73 KMT2A (0.54) MEN1KMT2AMAPTCDK4CCND1
SCHEMBL7507650 0.73 EPHX1 (0.65) SMN1; SMN2POLBALDH1A1LMNA

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-4350634-A HYPOTENSIVE AGENTS SANDOZ LTD. (CH) 1982-09-21 US disclosed