SCHEMBL9219612

SCHEMBL9219612

CC(C)N(CCC(c1ccccc1)c1cc(Br)ccc1OCc1ccccc1)C(C)C.O=S(=O)(O)c1ccc(CCCCc2ccccc2)cc1-c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 9/20 0.39
ADRB2 P07550 8/20 0.39
PTGER1 P34995 3/20 0.37
LMNA P02545 2/20 0.35
ESR1 P03372 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
MAPT P10636 1/20 0.35
KCNE1 P15382 1/20 0.35
PTGS1 P23219 1/20 0.35
HRH2 P25021 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNQ1 P51787 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL2599538 0.84 PTGER1 (0.46) PTGER1LMNACCR5HTT
SCHEMBL2167179 0.82 CHRM2 (0.51) CHRM2CHRM1CHRM3ADRB2LMNA
SCHEMBL723993 0.82 CHRM2 (0.51) CHRM2CHRM1CHRM3ADRB2LMNA
SCHEMBL596294 0.82 CHRM2 (0.51) CHRM2CHRM1CHRM3ADRB2LMNA
SCHEMBL27510678 0.79 CHRM2 (0.53) CHRM2CHRM1CHRM3ADRB2LMNA
Cadaverine Tartrate SCHEMBL11317075 0.79 CHRM2 (0.54) CHRM2CHRM1CHRM3ADRB2PTGER1
SCHEMBL6937177 0.76 CHRM2 (0.56) CHRM2CHRM1CHRM3ADRB2LMNA
SCHEMBL6937179 0.76 CHRM2 (0.56) CHRM2CHRM1CHRM3ADRB2LMNA
SCHEMBL12856745 0.76 CHRM2 (0.45) CHRM2CHRM1CHRM3ADRB2LMNA
SCHEMBL5178098 0.76 CHRM2 (0.59) CHRM2CHRM1CHRM3ADRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667852-A1 NOVEL 3,3-DIPHENYLPROPYLAMINES, THEIR USE AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1995-08-23 EP disclosed
WO-1994011337-A9 NOVEL 3,3-DIPHENYLPROPYLAMINES, THEIR USE AND PREPARATION 1995-07-06 WO disclosed
WO-1994011337-A1 NOVEL 3,3-DIPHENYLPROPYLAMINES, THEIR USE AND PREPARATION PHARMACIA AB (SE) 1994-05-26 WO disclosed