SCHEMBL7969773

SCHEMBL7969773

CSc1ccc(OC[C@@H](O)CN2CCC(O)(c3cnc4ccccc4c3)CC2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.47
LMNA P02545 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41

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
SCHEMBL7953297 0.89 LMNA (0.55) ABCB1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL7965198 0.88 PRMT5 (0.45) ABCB1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL7968936 0.86 ABCB1 (0.52) ABCB1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL7962728 0.85 ABCB1 (0.54) ABCB1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL7969776 0.85 OPRL1 (0.35) ABCB1
SCHEMBL8132545 0.84 NOTUM (0.33) MAPT
SCHEMBL7966028 0.84 ABCB1 (0.54) ABCB1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL7953682 0.83 ABCB1 (0.47) ABCB1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL7965342 0.83 KMT2A (0.44) ABCB1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL7953962 0.83 ABCB1 (0.54) ABCB1LMNAKMT2AMEN1SMN1; SMN2

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