SCHEMBL11455046

SCHEMBL11455046

CN(C)C1CCCCC1NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 2/20 0.54
▸ TSHR P16473 1/20 0.53
▸ EPHX1 P07099 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.51
▸ CTSB P07858 2/20 0.51
▸ CTSS P25774 2/20 0.51
▸ CTSK P43235 2/20 0.51
▸ CTSL P07711 1/20 0.51
▸ CASP3 P42574 3/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL11455941 0.97 CPB1 (0.54) CPB1TSHREPHX1ALDH1A1GAA
SCHEMBL29763067 0.97 CPB1 (0.54) CPB1TSHREPHX1ALDH1A1GAA
SCHEMBL13223714 0.89 SIGMAR1 (0.63) CPB1TSHREPHX1ALDH1A1GAA
SCHEMBL6612597 0.86 EPHX1 (0.63) CPB1TSHREPHX1ALDH1A1GAA
SCHEMBL14018496 0.83 CPB1 (0.57) CPB1TSHREPHX1ALDH1A1GAA
SCHEMBL13917140 0.81 EPHX1 (0.58) CPB1TSHREPHX1ALDH1A1GAA
SCHEMBL13326281 0.81 EPHX1 (0.58) CPB1TSHREPHX1ALDH1A1GAA
SCHEMBL10007480 0.81 CASP3 (0.62) CPB1TSHREPHX1ALDH1A1GAA
SCHEMBL22204568 0.81 CASP3 (0.62) CPB1TSHREPHX1ALDH1A1GAA
SCHEMBL5749471 0.81 EPHX1 (0.58) CPB1TSHREPHX1ALDH1A1GAA

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
US-4215114-A Analgesic N-[2-(furyl-methylamino and 2-thienylmethylamino)cycloaliphatic]be THE UPJOHN COMPANY (US) 1980-07-29 — — US disclosed
US-4197308-A Analgesic N-(2-heterocyclic-amino cycloaliphatic) benzamides THE UPJOHN COMPANY (US) 1980-04-08 — — US disclosed
US-4192885-A Analgesic N-{2-[N'-(2-furylmethyl and 2-thienyl-methyl)-N'-alkylamino]cycloaliphatic}cyanobenzamides THE UPJOHN COMPANY (US) 1980-03-11 — — US disclosed
US-4179501-A Analgesic N-(2-aminocycloaliphatic)azidobenzamides THE UPJOHN COMPANY (US) 1979-12-18 — — US disclosed
US-4153717-A 260/332.2 R THE UPJOHN COMPANY (US) 1979-05-08 — — US disclosed
US-4152459-A Analgesic N-2-(aminocycloaliphatic)-hydroxy, alkoxy and (allylic)alkenyloxy-benzamides THE UPJOHN COMPANY (US) 1979-05-01 — — US disclosed
US-4148914-A Analgesic N-(2-aminocyclo aliphatic)cyanobenzamides THE UPJOHN COMPANY (US) 1979-04-10 — — US disclosed
US-4098904-A ANALGESIC N-(2-AMINOCYCLOALIPHATIC)BENZAMIDES THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
Send feedback