SCHEMBL7386571

SCHEMBL7386571

COC(=O)c1ccc2[nH]c3cnc(C(=O)OC)c(C)c3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ GABRA1 P14867 8/20 0.49
▸ GABRG2 P18507 8/20 0.49
▸ GABRB3 P28472 8/20 0.49
▸ GABRA5 P31644 8/20 0.49
▸ GABRA3 P34903 8/20 0.49
▸ GABRA2 P47869 7/20 0.49
▸ GABRB2 P47870 6/20 0.49
▸ GABRA6 Q16445 6/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ PMP22 Q01453 2/20 0.49
▸ GMNN O75496 1/20 0.49

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
SCHEMBL7381444 0.86 GABRA1 (0.48) KDM4EALDH1A1HSD17B10HPGDGABRA1
SCHEMBL7380216 0.86 GABRA1 (0.48) NPC1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL7379376 0.86 GABRA1 (0.64) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL7381420 0.85 GABRA1 (0.60) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL7381277 0.84 GABRA1 (0.70) KDM4EALDH1A1HSD17B10HPGDGABRA1
SCHEMBL7385381 0.84 GABRA1 (0.51) KDM4EALDH1A1HSD17B10HPGDGABRA1
SCHEMBL7379700 0.83 GABRA1 (0.59) NPC1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL7382592 0.82 MEN1 (0.57) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL10835388 0.81 GABRA1 (0.58) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL10903535 0.81 GABRA1 (0.58) RAB9AKDM4EALDH1A1HPGDGABRA1

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-5010077-A Tranquilizers A/S FERROSAN (DK) 1991-04-23 — — US disclosed
US-4371536-A TRANQUILIZERS A/S FERROSAN (DK) 1983-02-01 — — US disclosed
EP-0030254-A1 Beta-carbolin-3-carboxylic acid derivatives, pharmaceutical compositions containing them and their therapeutical use SCHERING AKTIENGESELLSCHAFT (DE) 1981-06-17 — — EP disclosed
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