SCHEMBL11368679

SCHEMBL11368679

CCCCN1CC2(CCNCC2)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
PIK3CD O00329 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
CHRNA7 P36544 1/20 0.30

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
SCHEMBL3224637 0.91 HTR2A (0.35) PIK3CDL3MBTL1HTR2AHTR2CCHRNA7
Hydrochloric Acid SCHEMBL3222393 0.89 HTR2A (0.34) PIK3CDHTR2AHTR2CCHRNA7
SCHEMBL736492 0.84 CHRNA7 (0.42) OPRM1PIK3CDCHRNA7
SCHEMBL30623589 0.81 GRM2 (0.30) KMT2A
SCHEMBL30623558 0.81 GRM2 (0.31) PIK3CD
SCHEMBL4457098 0.78 CHRNA7 (0.32) PIK3CDCHRNA7
SCHEMBL4458414 0.75 CHRNA7 (0.38) OPRM1CHRNA7
SCHEMBL30623733 0.75 GRIN1 (0.30)
SCHEMBL11371915 0.74 SIGMAR1 (0.52) KMT2AOPRM1
SCHEMBL6620481 0.74 AKR1B1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4255432-A ANTIHYPERTENSIVE AGENTS, ANTIHISTAMINES, BRONCHODILATOR AGENTS, ANTIVASOSPASTIC AGENTS SYNTEX (U.S.A.) INC. (US) 1981-03-10 US disclosed
US-4244961-A 1-Oxa-3,8-diazaspiro[4.5]decan-2-ones antihypertensive agents SYNTEX (U.S.A.) INC. (US) 1981-01-13 US disclosed