SCHEMBL6939822

SCHEMBL6939822

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.67
GPR55 Q9Y2T6 1/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAOB P27338 1/20 0.51
EPHX1 P07099 1/20 0.50
NOTUM Q6P988 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
USP2 O75604 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 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
SCHEMBL6936605 0.81 P2RX7 (1.00) P2RX7POLBNPSR1KMT2AMEN1
SCHEMBL6379951 0.78 EPHX1 (0.50) MAOBEPHX1NPC1MAPTRAB9A
SCHEMBL29431165 0.76 P2RX7 (0.83) P2RX7GPR55CA12CA9POLB
SCHEMBL6942663 0.76 P2RX7 (0.83) P2RX7GPR55CA12CA9POLB
SCHEMBL2535295 0.76 NOTUM (0.61) MAOBEPHX1NOTUMNPC1MAPT
SCHEMBL1948423 0.76 MAOB (0.64) MAOBEPHX1NOTUMNPC1MAPT
SCHEMBL3321984 0.75 P2RX7 (0.72) P2RX7GPR55CA12CA9POLB
SCHEMBL22775754 0.75 P2RX7 (0.63) P2RX7GPR55CA12CA9POLB
SCHEMBL6385058 0.75 EPHX1 (0.47) MAOBEPHX1NOTUMNPC1MAPT
SCHEMBL6937002 0.75 P2RX7 (0.57) P2RX7GPR55CA12CA9POLB

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 3 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-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