SCHEMBL8622608

SCHEMBL8622608

Cc1cccc(C(O)CN(C)C)c1OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SCN4A P35499 7/20 0.36
CXCR5 P32302 4/20 0.36
TSHR P16473 3/20 0.36
CYP1A2 P05177 3/20 0.36
LMNA P02545 2/20 0.36
SCN1A P35498 2/20 0.36
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
NFKB1 P19838 2/20 0.36
SLC6A4 P31645 2/20 0.36
CYP2C9 P11712 1/20 0.36
KCNK3 O14649 1/20 0.36
CACNA1F O60840 1/20 0.36
KCNK2 O95069 1/20 0.36
GBA1 P04062 1/20 0.36

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
SCHEMBL8619520 0.85 ALDH1A1 (0.40) ADRA2AADRA2BADRA2CSLC6A4AOC3
SCHEMBL8617649 0.84 AOC3 (0.48) ADRA2AADRA2BADRA2CCYP1A2LMNA
SCHEMBL8619073 0.82 AOC3 (0.49) ADRA2BTSHRHTR2AHTR2BKCNH2
SCHEMBL8619969 0.81 AOC3 (0.33) AOC3HIF1A
SCHEMBL8623204 0.79 ADRA2A (0.36) ADRA2AADRA2BADRA2CCYP1A2CYP3A4
SCHEMBL8619670 0.79 AOC3 (0.32) CYP1A2AOC3HIF1ACYP2C19
SCHEMBL9945947 0.75 LMNA (0.41) ADRA2AADRA2BADRA2CSCN4ACXCR5
SCHEMBL104735 0.72 SCN4A (0.48) ADRA2AADRA2BADRA2CSCN4ACXCR5
SCHEMBL1986623 0.72 SCN4A (0.39) ADRA2AADRA2BADRA2CSCN4ACXCR5
SCHEMBL8622440 0.71 AOC3 (0.44) ADRA2AADRA2BADRA2CCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0651735-B1 PHARMACOLOGICALLY ACTIVE ALPHA-(TERTIARY-AMINOMETHYL)-PHENYLMETHANOL DERIVATIVES PHARMACIA & UPJOHN AB (SE) 1998-05-20 EP claimed
US-5527821-A FOR TREATMENT OF URINARY INCONTINENCE PHARMACIA AB (SE) 1996-06-18 US claimed
EP-0651735-A1 PHARMACOLOGICALLY ACTIVE ALPHA-(TERTIARY-AMINOMETHYL)-PHENYLMETHANOL DERIVATIVES Pharmacia & Upjohn Aktiebolag (SE) 1995-05-10 EP claimed
WO-1994002442-A1 PHARMACOLOGICALLY ACTIVE α-[TERTIARY-AMINOMETHYL]-BENZENEMETHANOL DERIVATIVES PHARMACIA AB (SE) 1994-02-03 WO claimed
EP-0651735-B1 PHARMACOLOGICALLY ACTIVE ALPHA-(TERTIARY-AMINOMETHYL)-PHENYLMETHANOL DERIVATIVES PHARMACIA & UPJOHN AB (SE) 1998-05-20 EP disclosed
US-5527821-A FOR TREATMENT OF URINARY INCONTINENCE PHARMACIA AB (SE) 1996-06-18 US disclosed
EP-0651735-A1 PHARMACOLOGICALLY ACTIVE ALPHA-(TERTIARY-AMINOMETHYL)-PHENYLMETHANOL DERIVATIVES Pharmacia & Upjohn Aktiebolag (SE) 1995-05-10 EP disclosed
WO-1994002442-A1 PHARMACOLOGICALLY ACTIVE α-[TERTIARY-AMINOMETHYL]-BENZENEMETHANOL DERIVATIVES PHARMACIA AB (SE) 1994-02-03 WO disclosed