SCHEMBL8619634

SCHEMBL8619634

Cc1cccc(C2CO2)c1OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 6/20 0.35
SCN4A P35499 7/20 0.35
CYP2D6 P10635 3/20 0.35
LMNA P02545 2/20 0.35
SCN1A P35498 2/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
NFKB1 P19838 2/20 0.35
SLC6A4 P31645 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 1/20 0.35
KCNK3 O14649 1/20 0.35
CACNA1F O60840 1/20 0.35
KCNK2 O95069 1/20 0.35
GBA1 P04062 1/20 0.35
MAOA P21397 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 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
SCHEMBL7783854 0.81 HPGD (0.36) CYP2D6SLC6A4TSHRHTR2AHTR2B
SCHEMBL104735 0.75 SCN4A (0.48) CXCR5SCN4ACYP2D6LMNASCN1A
SCHEMBL14945596 0.74 HDAC4 (0.42) LMNATSHRHTR2AHTR2BADRA2A
SCHEMBL10779356 0.72 HTR2C (0.49) CYP2D6SLC6A4TSHRHTR2AHTR2B
SCHEMBL30370069 0.72 TAAR1 (0.52) TSHRMAOAHTR2AHTR2BALDH1A1
SCHEMBL30036880 0.72 TAAR1 (0.52) TSHRMAOAHTR2AHTR2BALDH1A1
SCHEMBL8525267 0.72 TAAR1 (0.52) TSHRMAOAHTR2AHTR2BALDH1A1
SCHEMBL168917 0.72 TAAR1 (0.52) TSHRMAOAHTR2AHTR2BALDH1A1
SCHEMBL8524358 0.72 TAAR1 (0.52) TSHRMAOAHTR2AHTR2BALDH1A1
SCHEMBL7786261 0.69 SLC6A2 (0.36) CYP2D6SLC6A4TSHRMAOAKCNH2

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 4 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 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