SCHEMBL28984342

SCHEMBL28984342

CCCCCCC(CCC)c1cc2ccc(C#N)cc2n1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ DRD2 P14416 3/20 0.35
▸ DRD3 P35462 3/20 0.35
▸ PTGES O14684 3/20 0.34
▸ ALOX5 P09917 3/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ ICMT O60725 1/20 0.33
▸ CDC7 O00311 3/20 0.33
▸ CYP19A1 P11511 3/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CCR9 P51686 1/20 0.33
▸ FNTA P49354 1/20 0.32
▸ FNTB P49356 1/20 0.32
▸ PGGT1B P53609 1/20 0.32
▸ BRPF1 P55201 1/20 0.32
▸ GRM2 Q14416 1/20 0.32

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
SCHEMBL26983565 0.79 CACNA2D1 (0.37) TSHRHSD17B10DRD2DRD3PPARG
SCHEMBL28667057 0.79 CACNA2D1 (0.37) TSHRHSD17B10DRD2DRD3PPARG
SCHEMBL24345958 0.75 KMT2A (0.41) —
SCHEMBL10022420 0.74 CDC7 (0.40) CDC7CDK2CCR9BRPF1
SCHEMBL23458895 0.73 BRPF1 (0.39) CDC7CDK2CCR9BRPF1
SCHEMBL29965268 0.73 BRPF1 (0.39) CDC7CDK2CCR9BRPF1
SCHEMBL21730486 0.70 NR1I2 (0.36) —
SCHEMBL21783907 0.70 TSHR (0.46) TSHRHSD17B10CYP19A1GRM2
SCHEMBL26464630 0.68 PGR (0.37) TSHRHSD17B10GRM2
SCHEMBL22664881 0.68 TSHR (0.51) TSHRHSD17B10CYP19A1GRM2

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-115776890-A TRPV4 inhibitors as therapeutic agents for eye diseases 拉夸里亚创药株式会社 2023-03-10 — — CN disclosed
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