SCHEMBL9512417

SCHEMBL9512417

CC[C@H]1CC[C@H](c2ccc(C#Cc3ccc(-c4ccc(OC)cc4)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.47
DRD2 P14416 1/20 0.46
APP P05067 2/20 0.41
ACACB O00763 1/20 0.39
DGAT1 O75907 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM3 Q14832 4/20 0.38

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
SCHEMBL9512333 0.96 DRD2 (0.49) MCHR1DRD2APPACACBGRM3
SCHEMBL11282461 0.91 DRD2 (0.53) DRD2DGAT1MEN1ALDH1A1MAPK1
SCHEMBL9509299 0.89 DRD2 (0.47) MCHR1DRD2APPDGAT1MEN1
SCHEMBL9510136 0.89 ACACB (0.50) MCHR1ACACBDGAT1
SCHEMBL9509338 0.87 DRD2 (0.45) MCHR1DRD2APPDGAT1MEN1
SCHEMBL10017476 0.87 DRD2 (0.57) DRD2ALDH1A1SMN1; SMN2
SCHEMBL9510031 0.86 ACACB (0.44) MCHR1ACACBALDH1A1
SCHEMBL9508782 0.86 RAB9A (0.46) MCHR1ACACB
SCHEMBL10510487 0.86 MCHR1 (0.44) MCHR1DRD2ACACBALDH1A1
SCHEMBL9742421 0.85 SLC6A2 (0.45) DRD2APPACACBMEN1KMT2A

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
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed