SCHEMBL7963395

SCHEMBL7963395

Cc1ccc(OC[C@H](O)CN2CCC(O)(c3cnc4ccccc4n3)CC2)c2c1CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRB1 P08588 3/20 0.44
ABCB1 P08183 10/20 0.44
ALDH1A1 P00352 2/20 0.41
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
ADRB2 P07550 4/20 0.39
ADRA2A P08913 1/20 0.39
ADRB3 P13945 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL7953682 0.87 ABCB1 (0.47) LMNAMEN1KMT2ASMN1; SMN2ADRB1
SCHEMBL7963401 0.83 ADRB2 (0.33) LMNAMEN1KMT2AADRB1ADRB2
SCHEMBL7963392 0.82 ADRB2 (0.35) LMNAMEN1KMT2AADRB1ADRB2
SCHEMBL7965117 0.80 CYP1A2 (0.58) LMNAMEN1KMT2ASMN1; SMN2ABCB1
Fumaric Acid SCHEMBL7966212 0.79 ABCB1 (0.51) LMNAMEN1KMT2ASMN1; SMN2ABCB1
SCHEMBL7962698 0.78 L3MBTL1 (0.46) MEN1KMT2ASMN1; SMN2KDM4ECYP2D6
SCHEMBL7962210 0.77 TP53 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7964941 0.77 CCR1 (0.45) LMNAMEN1KMT2ASMN1; SMN2ABCB1
SCHEMBL7965363 0.75 PRMT5 (0.48) LMNAMEN1KMT2ASMN1; SMN2ABCB1
SCHEMBL7962746 0.74 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ENPSR1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed