SCHEMBL20246717

SCHEMBL20246717

CNCC(c1ccccc1)N1CCC(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
CCR3 P51677 3/20 0.45
ACHE P22303 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HSP90AA1 P07900 1/20 0.42
TSHR P16473 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MC4R P32245 3/20 0.39

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
SCHEMBL16333179 0.83 CYP1A2 (0.57) CCR3TAAR1TSHRCYP1A2CYP3A4
SCHEMBL7727307 0.83 CYP1A2 (0.57) CCR3TAAR1TSHRCYP1A2CYP3A4
SCHEMBL6478479 0.83 CYP1A2 (0.57) CCR3TAAR1TSHRCYP1A2CYP3A4
SCHEMBL8784254 0.81 L3MBTL3 (0.58) CCR3TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL8276876 0.79 ALDH1A1 (0.49) CCR3CYP3A4CYP2C19ALDH1A1
SCHEMBL17179705 0.79 GAA (0.60) ALDH1A1
SCHEMBL4070780 0.75 HRH3 (0.50) CCR3TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL3457922 0.74 L3MBTL3 (0.61) SIGMAR1TSHRCYP2D6CYP2C19MEN1
SCHEMBL12859443 0.73 CYP2D6 (0.70) SIGMAR1ACHEHSP90AA1TSHRCYP2D6
SCHEMBL9390717 0.72 MCHR1 (0.40) CCR3TAAR1TSHRCYP2D6MEN1

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-2892525-B1 METHODS OF TREATING MUSCULAR DYSTROPHY UNIV NEVADA RENO (US) 2018-06-13 EP disclosed