SCHEMBL11266969

SCHEMBL11266969

CC(=O)NC1CCC(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
BDKRB1 P46663 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NTRK1 P04629 1/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
TSHR P16473 4/20 0.40
CYP2C9 P11712 3/20 0.40
TUBB1 Q9H4B7 3/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 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
SCHEMBL11604784 1.00 LMNA (0.49) LMNAKDM4EPOLBMAPTBDKRB1
SCHEMBL14856285 1.00 LMNA (0.49) LMNAKDM4EPOLBMAPTBDKRB1
SCHEMBL11589402 0.85 NTRK1 (0.47) LMNABDKRB1NTRK1RAB9AKMT2A
SCHEMBL11262948 0.84 BDKRB1 (0.42) LMNABDKRB1NTRK1TSHRRAB9A
SCHEMBL11603585 0.84 BDKRB1 (0.42) LMNABDKRB1NTRK1TSHRRAB9A
SCHEMBL8695216 0.84 P2RX7 (0.51) LMNAKDM4EPOLBMAPTMTNR1A
SCHEMBL20252628 0.84 P2RX7 (0.51) LMNAKDM4EPOLBMAPTMTNR1A
SCHEMBL11589333 0.84 KMT2A (0.55) KDM4EBDKRB1CA1CA2NTRK1
SCHEMBL11593014 0.81 NTRK1 (0.47) LMNAKDM4EPOLBMAPTBDKRB1
SCHEMBL11592497 0.81 HTT (0.50) BDKRB1NTRK1MTNR1AKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4091018-A ANIMAL GROWTH PROMOTERS AMERICAN CYANAMID COMPANY (US) 1978-05-23 US claimed
US-4332724-A OXIDATION IN PRESENCE OF COBALT CATALYST AMERICAN CYANAMID CO. (US) 1982-06-01 US disclosed
US-4254268-A OXIDIZED BY POTASSIUM PERMANGANATE AMERICAN CYANAMID COMPANY (US) 1981-03-03 US disclosed
US-4199510-A Process for oxidation of 4-amidotetrahydrobenzo [b]-thiophenes to 7-keto derivatives with cobaltic salts AMERICAN CYANAMID COMPANY (US) 1980-04-22 US disclosed
US-4091018-A ANIMAL GROWTH PROMOTERS AMERICAN CYANAMID COMPANY (US) 1978-05-23 US disclosed
US-4089976-A Synthesis of 1,2,3,4-tetrahydro-4-oxo-[or oxy-]-1-naphthylureas as novel growth-promoting compounds for animals AMERICAN CYANAMID COMPANY (US) 1978-05-16 US disclosed
US-4049717-A INTERMEDIATES FOR UREAS AND THIOUREAS AMERICAN CYANAMID COMPANY (US) 1977-09-20 US disclosed