SCHEMBL5048334

SCHEMBL5048334

CCCCCCc1ccc(CCc2ccc(C[N]Cc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSPD1 P10809 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR2C P28335 1/20 0.46
HSPE1 P61604 1/20 0.46
HIF1A Q16665 1/20 0.46
TST Q16762 1/20 0.46

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
SCHEMBL5045622 1.00 FAAH (0.48) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL4966332 0.98 FAAH (0.49) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL5044428 0.94 TAAR1 (0.46) FAAHALDH1A1HSD17B10PLK1TAAR1
SCHEMBL9349090 0.90 FAAH (0.56) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL9347785 0.90 FAAH (0.56) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL9349203 0.90 FAAH (0.56) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL5044821 0.90 HSD17B10 (0.44) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL5039909 0.90 HSD17B10 (0.44) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL13798097 0.88 FAAH (0.57) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL2615716 0.88 FAAH (0.57) FAAHESR1ADRA2AADORA3TACR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed