SCHEMBL18038697

SCHEMBL18038697

COC1(Cc2ccccc2)CCN(C(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.44
CHRM2 P08172 3/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRM1 P35372 1/20 0.44
GRIN1 Q05586 1/20 0.44
KCNH2 Q12809 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.39
ALDH1A1 P00352 3/20 0.36
CHRM3 P20309 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
OPRL1 P41146 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL18081013 0.80 MAOA (0.42) GRIN2BOPRM1CYP46A1ALDH1A1MAOA
SCHEMBL20012538 0.78 OPRM1 (0.40) GRIN2BOPRM1CYP46A1ALDH1A1OPRL1
SCHEMBL20008955 0.77 CYP2D6 (0.44) GRIN2BOPRM1CYP46A1ALDH1A1OPRL1
SCHEMBL14000290 0.76 CYP46A1 (0.45) GRIN2BOPRM1KCNH2CYP46A1MAOA
SCHEMBL18038748 0.75 OPRD1 (0.47) CYP46A1
SCHEMBL17465635 0.73 OPRM1 (0.47) GRIN2BCHRM2GRIN2DGRIN3BCHRM1
SCHEMBL16601016 0.72 MAOA (0.45) GRIN2BOPRM1CYP46A1MAOAMAOB
SCHEMBL8261420 0.72 OPRM1 (0.56) GRIN2BCHRM2GRIN2DGRIN3BCHRM1
SCHEMBL2952979 0.71 OPRD1 (0.51) CHRM2CHRM1CYP46A1CHRM3SMN1; SMN2
SCHEMBL28793512 0.71 OPRM1 (0.51) GRIN2BCHRM2GRIN2DGRIN3BCHRM1

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
EP-3262036-A1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2018-01-03 EP disclosed
WO-2016138114-A1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-09-01 WO disclosed