SCHEMBL11196742

SCHEMBL11196742

CC(N)CNC(=O)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
CNR1 P21554 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
GAA P10253 2/20 0.51
MMP2 P08253 2/20 0.51
POLB P06746 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 3/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 1/20 0.50
CNR2 P34972 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 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
SCHEMBL1261180 0.87 HPGD (0.51) HPGDCNR1MEN1KMT2AHDAC8
SCHEMBL1261177 0.87 HPGD (0.51) HPGDCNR1MEN1KMT2AHDAC8
SCHEMBL11655675 0.86 HPGD (0.57) HPGDCNR1MEN1KMT2AHDAC8
SCHEMBL7351625 0.86 HPGD (0.72) HPGDCNR1MEN1KMT2AHDAC8
SCHEMBL24322586 0.83 ALPI (0.55) HPGDCNR1MEN1KMT2AHDAC8
SCHEMBL5080196 0.83 ALPI (0.55) HPGDCNR1MEN1KMT2AHDAC8
SCHEMBL2310634 0.83 ALPI (0.55) HPGDCNR1MEN1KMT2AHDAC8
SCHEMBL6188980 0.81 HPGD (0.53) HPGDCNR1MEN1KMT2AHDAC8
SCHEMBL8226896 0.81 CNR1 (0.51) HPGDCNR1MEN1KMT2AHDAC8
SCHEMBL15709116 0.80 NPC1 (0.54) HPGDCNR1MEN1KMT2AHDAC8

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-4387099-A Alkanolamine derivatives IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-06-07 US disclosed
US-4327113-A DRUGS FOR TREATMENT OF HEART DISEASES, ADRENERGIC BLOCKING AGENTS, ETC IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-27 US disclosed
US-4260632-A ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-04-07 US disclosed
US-4221807-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-09-09 US disclosed
US-4167581-A 1-ARYLOXY-3-(ACYLAMINO)ALKYLAMINO-2-PROPANOL ADRENERGIC BLOCKING, AGENTS AND CARDIAC STIMULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 US disclosed
US-4141987-A HYPOTENSIVE, ADRENERGIC BLOCKING AGENT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-02-27 US disclosed
US-4131685-A ADRENERGIC BLOCKING AGENT, CARDIAC STIMULANT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-12-26 US disclosed
US-4117157-A TREATMENT OF CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-26 US disclosed