SCHEMBL9159692

SCHEMBL9159692

CCc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3cc(-c4ccc(N(c5ccc(CC)cc5)c5ccc(CC)cc5)cc4)cc(-c4ccc(N(c5ccc(CC)cc5)c5ccc(CC)cc5)cc4)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
EGFR P00533 1/20 0.39
UCHL1 P09936 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
METAP2 P50579 1/20 0.37
CYP2A6 P11509 2/20 0.37
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL13700812 1.00 HRH3 (0.41) HRH3LPLLIPGRXRARXRB
SCHEMBL919282 0.93 HRH3 (0.46) HRH3LPLLIPGNISCHEGFR
SCHEMBL10062463 0.93 HRH3 (0.46) HRH3LPLLIPGNISCHEGFR
SCHEMBL19423242 0.88 RXRA (0.48) HRH3LPLLIPGRXRARXRB
SCHEMBL27043233 0.86 RXRA (0.36) HRH3LPLLIPGRXRARXRB
SCHEMBL12304289 0.85 LPL (0.52) LPLLIPGTSHRMAPK1ATM
SCHEMBL3896543 0.85 LPL (0.52) LPLLIPGTSHRMAPK1ATM
SCHEMBL12533875 0.84 HCRTR2 (0.41) HRH3LPLLIPGNISCHEGFR
SCHEMBL1702645 0.84 TP53 (0.54) HRH3LPLLIPGNISCHTSHR
SCHEMBL13855250 0.84 TP53 (0.54) TSHRTDP1L3MBTL1TP53TAAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428214-B1 Electrophotographic recording material AGFA GEVAERT NV (BE) 1995-03-29 EP disclosed
EP-0393787-B1 Electrophotographic recording material AGFA GEVAERT NV (BE) 1995-02-15 EP disclosed
US-5145759-A Conductive support, negatively chargeable photoconductive layer containing insulating polymeric binder with pigment and charge transport substance AGFA-GEVAERT, N.V. (BE) 1992-09-08 US disclosed
EP-0428214-A1 Electrophotographic recording material AGFA-GEVAERT N.V. (BE) 1991-05-22 EP disclosed
EP-0393787-A2 Electrophotographic recording material AGFA-GEVAERT N.V. (BE) 1990-10-24 EP disclosed