SCHEMBL29953543

SCHEMBL29953543

OB(O)c1ccc2c(c1)NCC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ENPP2 Q13822 1/20 0.39
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CFTR P13569 1/20 0.33
CRBN Q96SW2 1/20 0.33
PARP1 P09874 4/20 0.33
PARP10 Q53GL7 4/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
TTR P02766 1/20 0.32

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
SCHEMBL200682 1.00 DRD2 (0.44) DRD2DRD4GFERSMN1; SMN2ENPP2
SCHEMBL5757595 0.89 MAPT (0.42) DRD2DRD4GFERENPP2CA1
SCHEMBL203219 0.85 DRD2 (0.58) DRD2DRD4ENPP2CA1CA2
SCHEMBL13086372 0.75 PARP10 (0.58) PARP1PARP10F7F3
SCHEMBL4608563 0.74 MAPT (0.54) DRD2DRD4ENPP2CA1CA2
SCHEMBL29378459 0.74 DRD2 (0.70) DRD2DRD4GFERSMN1; SMN2PARP1
SCHEMBL33917 0.74 DRD2 (0.70) DRD2DRD4GFERSMN1; SMN2PARP1
SCHEMBL18094182 0.73 CA9 (0.57) SMN1; SMN2ALDH1A1MAPTCRBN
Hydrochloric Acid SCHEMBL6844316 0.72 DRD2 (0.68) DRD2DRD4GFERSMN1; SMN2PARP1
SCHEMBL15329663 0.72 ASIC3 (0.55) DRD2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed