SCHEMBL27784844

SCHEMBL27784844

Brc1cncc(Cc2ccc[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.40
▸ ABL1 P00519 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MGMT P16455 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
SCHEMBL28399049 0.74 HRH3 (0.52) HRH3TAAR1
SCHEMBL8986293 0.74 HRH3 (0.64) HRH3HRH4TAAR1CYP11B1CYP11B2
SCHEMBL4731 0.73 CALM1 (0.48) HRH3TACR1SLC6A4KCNH2TAAR1
SCHEMBL20117842 0.71 HRH3 (0.55) HRH3HRH4TAAR1CYP11B1CYP11B2
SCHEMBL79201 0.69 MAOA (0.47) ABL1SRC
SCHEMBL6420054 0.68 PDE10A (0.43) —
SCHEMBL1108477 0.68 TAAR1 (0.50) HRH3TAAR1SMN1; SMN2HCAR2
SCHEMBL27667122 0.67 CYP11B1 (0.42) HRH3CYP11B1CYP11B2SMN1; SMN2HTT
Pyridine SCHEMBL28133711 0.67 HRH3 (0.50) HRH3HRH4TAAR1SMN1; SMN2MAPT
SCHEMBL30675676 0.67 EGFR (0.39) HRH3SMN1; SMN2HTTMAPT

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-101591281-A Phosphonate compounds having immunomodulatory activity GILEAD SCIENCES INC (US) 2009-12-02 — — CN disclosed
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