SCHEMBL10446934

SCHEMBL10446934

CC(C)c1ccc(C(C)N(C(=O)Nc2ccc(F)cc2F)C2Cc3ccccc3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.47
▸ RECQL P46063 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ TAS1R2 Q8TE23 1/20 0.45
▸ GRM7 Q14831 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ P2RY1 P47900 1/20 0.38
▸ TP53 P04637 1/20 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
SCHEMBL10447080 0.94 HTT (0.49) HTTRECQLTAS1R3TAS1R1TAS1R2
SCHEMBL10446650 0.84 HTT (0.46) HTTRECQLTAS1R3TAS1R1TAS1R2
SCHEMBL10447033 0.84 UBE2M (0.49) HTTRECQLTAS1R3TAS1R1TAS1R2
SCHEMBL10447346 0.84 TAS1R3 (0.47) HTTRECQLTAS1R3TAS1R1TAS1R2
SCHEMBL9259744 0.76 GAA (0.51) HTTRECQLSMN1; SMN2MAPTNPC1
SCHEMBL10447007 0.75 HTT (0.50) HTTTAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL10446784 0.74 RECQL (0.47) HTTRECQLTAS1R3TAS1R1TAS1R2
SCHEMBL10446762 0.72 UBE2M (0.52) HTTTAS1R3TAS1R1TAS1R2MAPT
SCHEMBL9756708 0.72 PKM (0.44) HTTTAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL10446779 0.72 PKM (0.46) HTTRECQLTAS1R3TAS1R1TAS1R2

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-0399422-A1 Benzocycloalkane derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1990-11-28 — — EP disclosed
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