SCHEMBL21181617

SCHEMBL21181617

NC1=CCC(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 4/20 0.46
▸ GABRD O14764 4/20 0.46
▸ GABRA1 P14867 4/20 0.46
▸ GABRB1 P18505 4/20 0.46
▸ GABRG2 P18507 4/20 0.46
▸ GABRB3 P28472 4/20 0.46
▸ GABRA5 P31644 4/20 0.46
▸ GABRA3 P34903 4/20 0.46
▸ GABRA2 P47869 4/20 0.46
▸ GABRB2 P47870 4/20 0.46
▸ GABRA4 P48169 4/20 0.46
▸ GABRE P78334 4/20 0.46
▸ GABRA6 Q16445 4/20 0.46
▸ GABRG1 Q8N1C3 4/20 0.46
▸ GABRG3 Q99928 4/20 0.46
▸ GABRQ Q9UN88 4/20 0.46
▸ GABRR1 P24046 3/20 0.46
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ABAT P80404 1/20 0.34

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
SCHEMBL6737816 0.79 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6649529 0.77 LMNA (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1037667 0.75 LMNA (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18520706 0.75 LMNA (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28520292 0.75 LMNA (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18825349 0.75 LMNA (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL819619 0.75 TSHR (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL937318 0.75 LMNA (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL937050 0.75 LMNA (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4361154 0.75 LMNA (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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-2884976-B1 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-07-24 — — EP disclosed
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