SCHEMBL9836422

SCHEMBL9836422

CCOC(=O)c1cc2c3c([nH]c2cn1)CCCC3

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 1/20 0.63
GABRA1 P14867 10/20 0.58
GABRG2 P18507 10/20 0.58
GABRB3 P28472 10/20 0.58
GABRA5 P31644 10/20 0.58
GABRA3 P34903 10/20 0.58
GABRA2 P47869 10/20 0.58
GABRA6 Q16445 7/20 0.58
GABRA4 P48169 6/20 0.58
MAPT P10636 6/20 0.58
KDM4E B2RXH2 6/20 0.58
GABRP O00591 4/20 0.58
GABRD O14764 4/20 0.58
GABRB1 P18505 4/20 0.58
GABRB2 P47870 4/20 0.58
GABRE P78334 4/20 0.58
GABRG1 Q8N1C3 4/20 0.58

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
SCHEMBL9835460 0.81 MEN1 (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9835013 0.79 GABRA1 (0.51) MEN1KMT2ANPC1RAB9AGABRA1
SCHEMBL4780133 0.78 MEN1 (1.00) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9835612 0.77 GABRA1 (0.49) MEN1KMT2ANPC1RAB9AGABRA1
SCHEMBL6755465 0.77 KMT2A (0.62) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9835171 0.76 GABRA1 (0.54) MEN1KMT2ANPC1RAB9AGABRA1
SCHEMBL9148621 0.75 MEN1 (0.81) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2943869 0.74 GABRA1 (0.59) NPC1GABRA1GABRG2GABRB3GABRA5
SCHEMBL9836096 0.74 GABRA1 (0.55) MEN1KMT2ANPC1RAB9AGABRA1
SCHEMBL9836105 0.74 GABRA1 (0.53) NPC1GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0217737-B1 TETRAHYDRO-BETA-CARBOLINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1991-08-14 EP claimed
US-4855295-A Tetrahydro-beta-carbolines, and their use as drugs SCHERING AKTIENGESELLSCHAFT (DE) 1989-08-08 US disclosed