SCHEMBL7756404

SCHEMBL7756404

CCC(c1cccc(N(C(C)C)C(C)C)c1)c1cc(CO)ccc1OC(=O)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
RAB9A P51151 2/20 0.40
FAAH O00519 1/20 0.36
KLK7 P49862 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4398908 0.89 CHRM2 (0.48) CHRM2CHRM1BCHEACHEMAPT
SCHEMBL4660409 0.86 CHRM2 (0.51) CHRM2CHRM1RAB9ANPC1ALDH1A1
SCHEMBL4659036 0.86 CHRM2 (0.51) CHRM2CHRM1RAB9ANPC1ALDH1A1
SCHEMBL4659057 0.85 CHRM2 (0.62) CHRM2CHRM1BCHEACHERAB9A
SCHEMBL1158251 0.85 CHRM2 (0.62) CHRM2CHRM1BCHEACHERAB9A
SCHEMBL4661558 0.84 CHRM2 (0.48) CHRM2CHRM1BCHEACHEMAPT
Hydrochloric Acid SCHEMBL16166361 0.84 CHRM2 (0.61) CHRM2CHRM1BCHEACHEALDH1A1
SCHEMBL11297464 0.83 CHRM2 (0.48) CHRM2CHRM1
SCHEMBL4660254 0.83 CHRM2 (0.46) CHRM2CHRM1LMNAKMT2ASMN1; SMN2
SCHEMBL4660292 0.83 CHRM2 (0.48) CHRM2CHRM1ALDH1A1LMNAMAPT

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-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 WO disclosed