SCHEMBL30615643

SCHEMBL30615643

O=c1[nH]c2cc(F)ccc2n1-c1ccnc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 8/20 0.48
▸ GABRD O14764 8/20 0.48
▸ GABRA1 P14867 8/20 0.48
▸ GABRB1 P18505 8/20 0.48
▸ GABRG2 P18507 8/20 0.48
▸ GABRB3 P28472 8/20 0.48
▸ GABRA5 P31644 8/20 0.48
▸ GABRA3 P34903 8/20 0.48
▸ GABRA2 P47869 8/20 0.48
▸ GABRB2 P47870 8/20 0.48
▸ GABRA4 P48169 8/20 0.48
▸ GABRE P78334 8/20 0.48
▸ GABRA6 Q16445 8/20 0.48
▸ GABRG1 Q8N1C3 8/20 0.48
▸ GABRG3 Q99928 8/20 0.48
▸ GABRQ Q9UN88 8/20 0.48
▸ DAO P14920 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL16657379 0.82 DAO (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18386901 0.78 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21464280 0.74 HRH3 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16657378 0.72 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30615708 0.72 HRH3 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28488050 0.72 HRH3 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21464136 0.70 DAO (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11356818 0.69 DAO (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30615654 0.69 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5433505 0.68 HSP90AA1 (0.70) 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
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 — — CN disclosed
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