SCHEMBL29495804

SCHEMBL29495804

CCc1nc(N)ccc1-c1c(F)c(F)cc2ccc(=O)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.40
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ GABRE P78334 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ GABRG1 Q8N1C3 1/20 0.35
▸ GABRG3 Q99928 1/20 0.35
▸ GABRQ Q9UN88 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ PDE3B Q13370 2/20 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
SCHEMBL22969490 0.86 REN (0.42) RENGABRPGABRDGABRA1GABRB1
SCHEMBL29495786 0.86 REN (0.42) RENGABRPGABRDGABRA1GABRB1
SCHEMBL29495716 0.81 REN (0.40) RENGABRPGABRDGABRA1GABRB1
SCHEMBL22969396 0.81 REN (0.40) RENGABRPGABRDGABRA1GABRB1
SCHEMBL29495948 0.79 CA12 (0.40) RENGABRPGABRDGABRA1GABRB1
SCHEMBL22969598 0.74 REN (0.43) RENGABRPGABRDGABRA1GABRB1
SCHEMBL29495759 0.74 REN (0.43) RENGABRPGABRDGABRA1GABRB1
SCHEMBL22969282 0.73 REN (0.37) RENGABRPGABRDGABRA1GABRB1
SCHEMBL22969494 0.71 REN (0.37) RENGABRPGABRDGABRA1GABRB1
SCHEMBL22969255 0.71 REN (0.37) RENGABRPGABRDGABRA1GABRB1

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
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 — — CN claimed
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 — — CN disclosed
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