SCHEMBL10939799

SCHEMBL10939799

COc1cccc(C)c1NC(=O)NC(=N)N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.62
HTR2B P41595 2/20 0.52
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
PKM P14618 2/20 0.51
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 3/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL10939152 0.86 DRD2 (0.68) ATMHTR2BDRD2HTR2APKM
SCHEMBL11426549 0.86 KMT2A (0.48) ATMALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL11277754 0.85 ATM (0.47) ATMHTR2BDRD2HTR2APKM
SCHEMBL11056117 0.85 DRD2 (0.49) ATMHTR2BDRD2HTR2APKM
Hydrochloric Acid SCHEMBL10618121 0.85 PKM (0.69) ATMHTR2BDRD2HTR2APKM
SCHEMBL11436778 0.84 ATM (0.47) ATMALDH1A1KMT2AMEN1POLB
SCHEMBL11422545 0.84 ATM (0.47) ATMHTR2BDRD2HTR2APKM
SCHEMBL10614877 0.84 ATM (0.60) ATMHTR2BDRD2HTR2APKM
SCHEMBL10944207 0.83 CACNA1C (0.53) ATMALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL10730398 0.83 ATM (0.48) ATMHTR2BDRD2HTR2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0073276-A1 A method of increasing the feed efficiency of animals, and compositions for use in such a method RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-03-09 EP claimed
US-4117165-A ANTIULCER, HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-09-26 US claimed
US-4562209-A Promotion of feed efficiency in animals WILLIAM H. RORER, INC. (US) 1985-12-31 US disclosed
US-4452980-A DIARRHEA WILLIAM H. RORER, INC. (US) 1984-06-05 US disclosed
EP-0086193-A1 THE TREATMENT AND PREVENTION OF SCOURS IN ANIMALS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-08-24 EP disclosed
EP-0073276-A1 A method of increasing the feed efficiency of animals, and compositions for use in such a method RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-03-09 EP disclosed
WO-1983000626-A1 THE TREATMENT AND PREVENTION OF SCOURS IN ANIMALS RORER INT OVERSEAS (US) 1983-03-03 WO disclosed
US-4340609-A Amidinourea derivative veterinary compositions for suppression of parasitemia WILLIAM H. RORER, INC. (US) 1982-07-20 US disclosed
US-4326075-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4285972-A Method of treating scours WILLIAM H. RORER, INC. (US) 1981-08-25 US disclosed
US-4246409-A ANTIDIARRHEAL AGENTS WILLIAM H. RORER, INC. (US) 1981-01-20 US disclosed
US-4225315-A Triazinones from amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-30 US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4117165-A ANTIULCER, HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-09-26 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed