SCHEMBL8964031

SCHEMBL8964031

FC1c2ccccc2C(N2CCNCC2)c2ccc3c(c2C1F)CC3

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
DRD1 P21728 3/20 0.34
DRD2 P14416 2/20 0.34
DRD5 P21918 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
USP2 O75604 1/20 0.32
GBA1 P04062 1/20 0.32
ALOX15 P16050 1/20 0.32
HK1 P19367 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
RAD52 P43351 1/20 0.31

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
SCHEMBL8067630 0.89 TAAR1 (0.35) TAAR1FNTAFNTBDRD1DRD2
SCHEMBL7558089 0.79 TAAR1 (0.34) TAAR1FNTAFNTBDRD1DRD2
SCHEMBL7557369 0.73 TAAR1 (0.35) TAAR1FNTAFNTBDRD1DRD2
SCHEMBL6161969 0.73 TAAR1 (0.58) TAAR1FNTAFNTBDRD1DRD2
SCHEMBL7519877 0.72 TAAR1 (0.36) TAAR1FNTAFNTBDRD1DRD2
SCHEMBL25579654 0.68 TAAR1 (0.44) TAAR1FNTAFNTB
SCHEMBL8239748 0.67 TAAR1 (0.50) TAAR1FNTAFNTBDRD1DRD2
SCHEMBL8067779 0.67 TAAR1 (0.42) TAAR1FNTAFNTBDRD1DRD2
SCHEMBL1798685 0.66 CYP1A2 (0.53) TAAR1
SCHEMBL6669711 0.66 TAAR1 (0.40) TAAR1FNTAFNTBUSP2GBA1

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-0695293-A1 10,11-METHANODIBENZOSUBERANE DERIVATIVES USED AS CHEMOSENSITIZING AGENTS SYNTEX (U.S.A.) INC. (US) 1996-02-07 EP disclosed
WO-1994024107-A1 10,11-METHANODIBENZOSUBERANE DERIVATIVES USED AS CHEMOSENSITIZING AGENTS SYNTEX (U.S.A.) INC. (US) 1994-10-27 WO disclosed