SCHEMBL9130967

SCHEMBL9130967

CC(C)(C)NCC(O)COc1ccccc1C(=O)Nc1cccc2[nH]ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.53
ADRB3 P13945 8/20 0.53
ADRB1 P08588 6/20 0.53
CYP1A2 P05177 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALOX15 P16050 2/20 0.53
LMNA P02545 3/20 0.52
HTR1A P08908 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
USP2 O75604 1/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
NFKB1 P19838 1/20 0.51

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
Benzoic Acid SCHEMBL9131218 0.95 ADRB2 (0.51) ADRB2ADRB3ADRB1CYP1A2MEN1
SCHEMBL9131862 0.93 ADRB2 (0.53) ADRB2ADRB3ADRB1CYP1A2MEN1
SCHEMBL9132856 0.92 ADRB3 (0.48) ADRB2ADRB3ADRB1CYP1A2MEN1
SCHEMBL9132659 0.92 HTR1A (0.49) ADRB2ADRB3ADRB1CYP1A2MEN1
SCHEMBL9131595 0.91 ADRB3 (0.48) ADRB2ADRB3ADRB1CYP1A2MEN1
SCHEMBL9131158 0.90 ADRB3 (0.47) ADRB2ADRB3ADRB1CYP1A2MEN1
SCHEMBL9132463 0.89 HTR1A (0.44) ADRB2ADRB3ADRB1CYP1A2MEN1
SCHEMBL9135861 0.88 ADRB3 (0.51) ADRB2ADRB3ADRB1CYP1A2MEN1
SCHEMBL9129242 0.88 ADRB3 (0.50) ADRB2ADRB3ADRB1CYP1A2MEN1
SCHEMBL9133110 0.88 HTR1A (0.69) ADRB2ADRB3ADRB1CYP1A2MEN1

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-0275762-B1 Indole carboxamide derivatives and their salts, process and intermediates for their preparation, their use as medicines and compositions containing them ROUSSEL UCLAF (FR) 1993-11-18 EP claimed
US-5084455-A Antiarrhythmia agents for mammals ROUSSEL UCLAF (FR) 1992-01-28 US claimed
EP-0213984-B1 INDOLE CARBOXAMIDE DERIVATIVES, THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1991-01-09 EP claimed
US-4791109-A Novel indole carboxamides ROUSSEL UCLAF (FR) 1988-12-13 US claimed
US-5380722-A Antiarrhythmia agents ROUSSEL-UCLAF (FR) 1995-01-10 US disclosed
US-5084455-A Antiarrhythmia agents for mammals ROUSSEL UCLAF (FR) 1992-01-28 US disclosed
US-4908367-A Antiarrythmic agents Uclaf, Roussel (FR) 1990-03-13 US disclosed
US-4791109-A Novel indole carboxamides ROUSSEL UCLAF (FR) 1988-12-13 US disclosed