SCHEMBL7966053

SCHEMBL7966053

Cc1cc2cc(OC[C@H](O)CN3CCC(OC(=O)C(C)O)(c4cnc5ccccc5n4)CC3)cc(Cl)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
HTR7 P34969 1/20 0.35
POLB P06746 2/20 0.34
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7966055 0.86 LMNA (0.32) TP53LMNA
SCHEMBL7966355 0.68 L3MBTL1 (0.40) MAPTHTR7POLBKDM4EALDH1A1
SCHEMBL8133874 0.66 ABCB1 (0.42) ALDH1A1
SCHEMBL7962210 0.66 TP53 (0.56) MAPTTP53POLBKDM4EALDH1A1
SCHEMBL7965117 0.65 CYP1A2 (0.58) MAPTTP53LMNAGAAHTT
SCHEMBL7962698 0.64 L3MBTL1 (0.46) KDM4ECYP2C19GAA
Sulfuric Acid SCHEMBL7968960 0.63 ADORA2A (0.39) POLBKCNH2KDM4ELMNAGAA
SCHEMBL7962746 0.63 SMN1; SMN2 (0.47) MAPTPOLBKDM4EHTT
Fumaric Acid SCHEMBL7966212 0.63 ABCB1 (0.51) MAPTALDH1A1LMNAHTT
SCHEMBL7953572 0.61 KMT2A (0.54) MAPTKDM4EALDH1A1LMNAGAA

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