SCHEMBL13761440

SCHEMBL13761440

CCCCC(C)NC(=O)c1ccccc1C(=O)NCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ POLB P06746 4/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ TAS1R2 Q8TE23 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MLYCD O95822 1/20 0.46
▸ HPGD P15428 4/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NAAA Q02083 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL6267140 0.81 ALDH1A1 (0.59) HTTTSHRKMT2AMEN1POLB
SCHEMBL31483721 0.79 HTT (0.64) HTTTSHRKMT2AHPGDNAAA
SCHEMBL26417076 0.79 HTT (0.64) HTTTSHRKMT2AHPGDNAAA
SCHEMBL27452233 0.78 RAB9A (0.68) HTTTSHRKMT2AMEN1POLB
SCHEMBL28810852 0.77 RAB9A (0.61) HTTTSHRKMT2AMEN1POLB
SCHEMBL9549306 0.76 MLYCD (0.49) HTTTSHRKMT2AMEN1POLB
SCHEMBL13754121 0.76 HPGD (0.50) HTTTSHRKMT2AMEN1TAS1R3
SCHEMBL11823698 0.76 MEN1 (0.83) HTTTSHRKMT2AMEN1POLB
SCHEMBL22060734 0.74 NPC1 (0.57) TSHRKMT2AMEN1POLBNPC1
SCHEMBL5332053 0.74 MLYCD (0.68) HTTTSHRKMT2AMEN1NPC1

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-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 — — US disclosed
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