SCHEMBL25610380

SCHEMBL25610380

C/C=C/CC1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.35
NOS1 P29475 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GBA1 P04062 1/20 0.33
GNAO1 P09471 2/20 0.32
GNAI3 P08754 1/20 0.32
GNAI1 P63096 1/20 0.32
ALOX15 P16050 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.30
SLC6A1 P30531 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRB2 P47870 2/20 0.30
SLC6A12 P48065 2/20 0.30
SLC6A11 P48066 2/20 0.30
SLC6A13 Q9NSD5 2/20 0.30
GABRA1 P14867 1/20 0.30
GABRR1 P24046 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
SCHEMBL10154182 1.00 NOS2 (0.35) NOS2NOS1CHRM1CHRM3GBA1
SCHEMBL13552264 0.85 CHRM1 (0.35) CHRM1CHRM3GBA1GNAO1GNAI3
SCHEMBL6996772 0.82
SCHEMBL19595018 0.82
SCHEMBL3935708 0.82
SCHEMBL27527086 0.80
SCHEMBL3932444 0.77
SCHEMBL397148 0.77
SCHEMBL728990 0.76 TSHR (0.35) CHRM1CHRM3GBA1ALOX15TSHR
SCHEMBL7698450 0.76 TSHR (0.35) CHRM1CHRM3GBA1GNAO1GNAI3

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-2023096987-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2023-06-01 WO disclosed