SCHEMBL7966030

SCHEMBL7966030

Cc1cccc(OC(O)CCN2CCC(O)(c3cnc4ccccc4c3)CC2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.38
OPRL1 P41146 3/20 0.38
LDHA P00338 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TACR2 P21452 1/20 0.36
NOTUM Q6P988 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
HTR1A P08908 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
ADRA1A P35348 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
SCHEMBL7953964 0.88 HTR1A (0.40) ABCB1OPRL1MEN1ALDH1A1LMNA
SCHEMBL7953304 0.88 OPRL1 (0.38) ABCB1OPRL1MEN1ALDH1A1LMNA
SCHEMBL7965366 0.86 PRMT5 (0.38) ABCB1OPRL1OPRM1OPRD1HTR1A
SCHEMBL7968938 0.86 OPRL1 (0.38) ABCB1OPRL1MEN1ALDH1A1LMNA
SCHEMBL7953684 0.85 OPRL1 (0.36) ABCB1OPRL1TACR2OPRM1OPRD1
SCHEMBL7953391 0.85 HTR1A (0.38) LMNAOPRM1HTR1A
SCHEMBL7969481 0.85 LTA4H (0.38) ABCB1OPRL1MEN1ALDH1A1LMNA
SCHEMBL7965525 0.84 OPRL1 (0.35) ABCB1OPRL1OPRM1OPRD1HTR1A
SCHEMBL7969776 0.84 OPRL1 (0.35) ABCB1OPRL1TACR2OPRM1OPRD1
SCHEMBL7966953 0.84 OPRL1 (0.39) OPRL1MEN1ALDH1A1LMNAKMT2A

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 5 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
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed