SCHEMBL11826994

SCHEMBL11826994

Cc1[nH]c2ccc(F)cc2c1CCC(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 5/20 0.61
▸ DRD2 P14416 1/20 0.55
▸ DRD4 P21917 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ GFER P55789 1/20 0.55
▸ MAPT P10636 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ PARP1 P09874 1/20 0.51
▸ PARP2 Q9UGN5 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ MC4R P32245 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL11828042 0.92 GFER (0.55) TACR1GFERMAPTLMNAKMT2A
SCHEMBL11821884 0.87 MAPT (0.65) TACR1MAPTLMNAKMT2AMEN1
SCHEMBL11819506 0.86 KMT2A (0.56) TACR1DRD2DRD4DRD3LMNA
SCHEMBL11834886 0.85 GFER (0.54) TACR1GFERMAPTLMNAKMT2A
SCHEMBL11335321 0.82 HTR1A (0.68) DRD2DRD4DRD3MAPTLMNA
SCHEMBL11823715 0.81 SLC6A4 (0.65) DRD2DRD4DRD3PARP1
SCHEMBL11822960 0.80 TACR1 (0.69) TACR1LMNAKMT2AMEN1
SCHEMBL11823392 0.78 KMT2A (0.56) TACR1GFERMAPTLMNAKMT2A
SCHEMBL15229645 0.77 APEX1 (0.59) MAPTKMT2AMEN1
SCHEMBL11834769 0.77 MEN1 (0.50) TACR1DRD4DRD3GFERKMT2A

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-3933824-A Piperazinobutyrophenone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-01-20 — — US disclosed
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