SCHEMBL19659716

SCHEMBL19659716

C=C1C(c2ccccc2)CCN1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
RECQL P46063 1/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM1A O60341 1/20 0.33
CYP2B6 P20813 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL11804600 0.77 CHRM2 (0.49) RIPK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL22225188 0.74 CHRM2 (0.34) RIPK1CHRM2CHRM4CHRM5CHRM1
SCHEMBL709502 0.74 EEF2K (0.41) LMNACYP1A2CYP2D6
SCHEMBL10514412 0.69 CHRNB2 (0.40) RECQLCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL908449 0.67 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3452689 0.65 TSHR (0.42) MAOAMAOBCYP2C19KDM1ACYP2B6
SCHEMBL5322391 0.64 DDB1 (0.47) DDB1CRBNSLC18A3
SCHEMBL29161356 0.63 DDB1 (0.46) DDB1CRBNLMNACYP1A2
SCHEMBL7344869 0.63 SLC18A3 (0.55) SLC18A3CYP1A2CYP2D6CYP2C9
SCHEMBL20282540 0.61 CHRNB2 (0.39) RIPK1CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed