SCHEMBL8456852

SCHEMBL8456852

O=C1OC(CC[N+]23CCC(c4ccccc4)(CC2)C3)(c2ccc(F)c(F)c2)CN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
ADRB2 P07550 1/20 0.32
FPR1 P21462 1/20 0.32
GPR183 P32249 1/20 0.32
APLNR P35414 1/20 0.32
GLP1R P43220 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
GPR35 Q9HC97 1/20 0.32
CYP3A4 P08684 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 1/20 0.32
HSD11B1 P28845 5/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4630794 0.95 HSD11B1 (0.34) TACR1SIRT2SIRT1ADRB2FPR1
Hydrochloric Acid SCHEMBL7750338 0.94 ADRB2 (0.34) TACR1SIRT2SIRT1ADRB2FPR1
Water SCHEMBL7750307 0.94 ADRB2 (0.34) TACR1SIRT2SIRT1ADRB2FPR1
SCHEMBL4631689 0.85 TACR1 (0.35) TACR1SIRT2SIRT1CYP3A4ALDH1A1
Water SCHEMBL7744617 0.84 TACR1 (0.34) TACR1SIRT2SIRT1CYP3A4ALDH1A1
SCHEMBL4631313 0.84 ADRB2 (0.37) TACR1SIRT2SIRT1ADRB2FPR1
Water SCHEMBL7749198 0.83 ADRB2 (0.38) TACR1SIRT2SIRT1ADRB2FPR1
SCHEMBL8026646 0.80 TACR1 (0.37) TACR1
SCHEMBL4630804 0.79 HSD11B1 (0.37) TACR1SIRT2SIRT1ADRB2FPR1
SCHEMBL4631605 0.78 TACR1 (0.34) TACR1SIRT2SIRT1CYP3A4ALDH1A1

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
EP-0915882-A1 1-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1999-05-19 EP disclosed
WO-1998004561-A1 1-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1998-02-05 WO disclosed