SCHEMBL9854923

SCHEMBL9854923

CCCCc1ccc(-c2ccc(C#CC3=CCC(CCCC)CC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RARB P10826 5/20 0.35
FFAR1 O14842 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
ACACB O00763 1/20 0.32
LMNA P02545 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 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
SCHEMBL10511907 0.98 DRD2 (0.40) DRD2DRD4DRD3TSHRHSD17B10
SCHEMBL9855966 0.96 TSHR (0.45) DRD2DRD4DRD3TSHRHSD17B10
SCHEMBL9855419 0.96 TSHR (0.42) DRD2DRD4DRD3TSHRHSD17B10
SCHEMBL9854961 0.96 DRD2 (0.43) DRD2DRD4DRD3TSHRHSD17B10
SCHEMBL9855361 0.95 TSHR (0.44) DRD2DRD4DRD3TSHRHSD17B10
SCHEMBL9855240 0.95 DRD2 (0.41) DRD2DRD4DRD3TSHRHSD17B10
SCHEMBL10511648 0.94 TSHR (0.43) DRD2DRD4DRD3TSHRHSD17B10
SCHEMBL9855411 0.94 TSHR (0.45) DRD2DRD4DRD3TSHRHSD17B10
SCHEMBL10511457 0.93 DRD2 (0.40) DRD2DRD4DRD3TSHRHSD17B10
SCHEMBL9854892 0.93 HSD17B10 (0.47) DRD2DRD4DRD3TSHRHSD17B10

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-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed