SCHEMBL5178337

SCHEMBL5178337

CC(C)N(CC[C@H](c1ccccc1)c1cc(COC(=O)C(O)c2ccccc2)ccc1O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.61
ADRB2 P07550 11/20 0.61
CHRM2 P08172 3/20 0.61
CHRM1 P11229 3/20 0.61
CHRM5 P08912 2/20 0.61
HRH1 P35367 2/20 0.61
CX3CR1 P49238 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
FFAR4 Q5NUL3 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
LMNA P02545 1/20 0.60
ESR1 P03372 1/20 0.60
CHRM4 P08173 1/20 0.60
MAPT P10636 1/20 0.60
KCNE1 P15382 1/20 0.60
PTGS1 P23219 1/20 0.60
HRH2 P25021 1/20 0.60
HTR2A P28223 1/20 0.60
SLC6A4 P31645 1/20 0.60
ADRA1A P35348 1/20 0.60

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
SCHEMBL2166483 0.91 CHRM2 (0.62) CHRM3ADRB2CHRM2CHRM1CHRM5
SCHEMBL9922432 0.91 CHRM2 (0.62) CHRM3ADRB2CHRM2CHRM1CHRM5
SCHEMBL15540380 0.90 CHRM3 (0.70) CHRM3ADRB2CHRM2CHRM1CHRM5
SCHEMBL8432689 0.89 CHRM3 (0.62) CHRM3ADRB2CHRM2CHRM1CHRM5
SCHEMBL11295361 0.89 CHRM3 (0.62) CHRM3ADRB2CHRM2CHRM1CHRM5
SCHEMBL15540655 0.89 CHRM3 (0.58) CHRM3ADRB2CHRM2CHRM1CHRM5
SCHEMBL15540658 0.89 CHRM3 (0.58) CHRM3ADRB2CHRM2CHRM1CHRM5
SCHEMBL7558351 0.87 CHRM3 (0.60) CHRM3ADRB2CHRM2CHRM1CHRM5
SCHEMBL2168702 0.87 CHRM3 (0.60) CHRM3ADRB2CHRM2CHRM1CHRM5
SCHEMBL2166958 0.86 CHRM3 (0.58) CHRM3ADRB2CHRM2CHRM1CHRM5

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-1019358-B2 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PFIZER HEALTH AB (SE) 2007-09-12 EP disclosed
US-6313132-B1 FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER PHARMACIA AB (SE) 2001-11-06 US disclosed