SCHEMBL5903990

SCHEMBL5903990

COc1ccc(CC(C)NC(=O)CCl)cc1S(=O)(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.45
▸ ADRA1D P25100 6/20 0.44
▸ ADRA1A P35348 6/20 0.44
▸ ADRA1B P35368 6/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ POLB P06746 1/20 0.40
▸ LDHA P00338 1/20 0.40
▸ FPR2 P25090 1/20 0.40

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
SCHEMBL5807725 1.00 ACACB (0.45) ACACBADRA1DADRA1AADRA1BADRB2
SCHEMBL5059309 0.89 ADRA1D (0.56) ACACBADRA1DADRA1AADRA1BADRB2
SCHEMBL5059304 0.89 ADRA1D (0.56) ACACBADRA1DADRA1AADRA1BADRB2
SCHEMBL24503566 0.79 TRPV4 (0.45) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL14300657 0.78 ADRA1D (0.53) ACACBADRA1DADRA1AADRA1BADRB2
SCHEMBL5052802 0.78 ADRA1D (0.53) ACACBADRA1DADRA1AADRA1BADRB2
SCHEMBL5052805 0.78 ADRA1D (0.53) ACACBADRA1DADRA1AADRA1BADRB2
SCHEMBL14370514 0.76 ACACB (0.58) ACACBADRA1DADRA1AADRA1BADRB2
SCHEMBL12323563 0.76 ACACB (0.58) ACACBADRA1DADRA1AADRA1BADRB2
SCHEMBL5806232 0.75 ACACB (0.60) ACACBLDHAFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148046-A1 Enzymatic process for the preparation of an intermediate compound and use thereof for the synthesis of tamsulosin hydrochloride QUIMICA SINTETICA, S.A. 2006-07-06 — — US disclosed
Send feedback