SCHEMBL19883576

SCHEMBL19883576

O=C1CCCc2c(OCc3cc(I)ccc3Br)cccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.54
▸ ADRB2 P07550 2/20 0.43
▸ ADRB1 P08588 2/20 0.43
▸ ADRB3 P13945 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ MAOA P21397 3/20 0.41
▸ MAOB P27338 3/20 0.41
▸ BRD4 O60885 4/20 0.40
▸ ABCB1 P08183 2/20 0.38
▸ RXRB P28702 2/20 0.37
▸ RXRA P19793 1/20 0.37
▸ HPD P32754 3/20 0.36
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RECQL P46063 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
SCHEMBL6121759 0.86 MRGPRX4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL5101144 0.74 MRGPRX4 (0.74) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL31318410 0.74 MRGPRX4 (0.74) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL8753959 0.74 MRGPRX4 (0.57) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL18829235 0.73 MRGPRX4 (0.53) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL5270656 0.72 MRGPRX4 (0.56) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL11806193 0.71 MRGPRX4 (0.53) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL22480543 0.70 MRGPRX4 (1.00) MRGPRX4RXRBRXRAHPGDPOLB
SCHEMBL21821534 0.70 MRGPRX4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A
SCHEMBL30317439 0.70 MRGPRX4 (0.54) MRGPRX4ADRB2ADRB1ADRB3HTR1A

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-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 — — EP disclosed
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