SCHEMBL8019111

SCHEMBL8019111

c1ccc(NC2(Nc3ccccc3)CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.39
SLC6A4 P31645 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CTSD P07339 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC4 P56524 1/20 0.37

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
SCHEMBL4059985 0.77 TDP1 (0.43) SLC6A4HTTNPSR1ALDH1A1TDP1
SCHEMBL11344629 0.77 KMT2A (0.46) HTR2BNPSR1
SCHEMBL3485397 0.76 TDP1 (0.40) HTR2BALDH1A1CTSDTDP1HSD17B10
SCHEMBL2427580 0.76 SLC6A4 (0.39) HTR2BSLC6A4
SCHEMBL11344632 0.73 LMNA (0.42) HTTNPSR1ALDH1A1TDP1HDAC4
SCHEMBL28799141 0.73 SLC6A4 (0.41) SLC6A4HTTNPSR1
SCHEMBL2112325 0.73 CTSK (0.40) SLC6A4HTTNPSR1
SCHEMBL20340442 0.73 CNR2 (0.39) SLC6A4HTTALDH1A1
SCHEMBL3954627 0.73 CYP1A2 (0.61) NPSR1ALDH1A1HDAC4
SCHEMBL2534556 0.73 CYP1A2 (0.70) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6054554-A HEAT RESISTANT; RADIATION TRANSPARENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-04-25 US claimed
US-6054554-A HEAT RESISTANT; RADIATION TRANSPARENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-04-25 US disclosed
US-6031067-A Soluble polyimide resin and process of preparation of the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-02-29 US disclosed