SCHEMBL6942663

SCHEMBL6942663

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2cn[nH]c2c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.83
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
KMT2A Q03164 1/20 0.53
CLK2 P49760 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
POLB P06746 1/20 0.53
PRKX P51817 1/20 0.53
CAMK2D Q13557 1/20 0.53
PKN2 Q16513 1/20 0.53
STK17A Q9UEE5 1/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
PHLPP2 Q6ZVD8 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
SCHEMBL29431165 1.00 P2RX7 (0.83) P2RX7MEN1USP2KMT2ACLK2
SCHEMBL6936605 0.91 P2RX7 (1.00) P2RX7MEN1USP2KMT2ANPSR1
SCHEMBL25447615 0.83 P2RX7 (0.67) P2RX7CLK2CLK4NPSR1ALDH1A1
SCHEMBL29431287 0.77 P2RX7 (0.59) P2RX7MEN1USP2KMT2ANPSR1
SCHEMBL22775803 0.77 P2RX7 (0.59) P2RX7MEN1USP2KMT2ANPSR1
SCHEMBL4578714 0.77 CLK2 (0.65) P2RX7MEN1KMT2ACLK2CLK4
SCHEMBL23084047 0.77 HPGD (0.63) P2RX7CLK2CLK4NPSR1PRKX
SCHEMBL6939822 0.76 P2RX7 (0.67) P2RX7MEN1USP2KMT2ANPSR1
SCHEMBL28573140 0.75 KDM4E (0.71) P2RX7MEN1KMT2ACLK2CLK4
SCHEMBL6762504 0.75 P2RX7 (0.62) P2RX7CLK2CLK4NPSR1PRKX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036058-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2003-03-12 EP claimed
EP-3983389-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2022-04-20 EP disclosed
WO-2020249957-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE Enterprise Therapeutics Limited (GB) 2020-12-17 WO disclosed
EP-1036058-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2003-03-12 EP disclosed
US-6242470-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS, ANTIALLERGENS; IRRITABLE BOWEL SYNDROME; AMIDATION ASTRAZENECA AB (SE) 2001-06-05 US disclosed