SCHEMBL20083976

SCHEMBL20083976

Cc1cc(NC(=O)c2cccc(CCN3CCCC(O)C3)c2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 2/20 0.49
▸ PARP1 P09874 2/20 0.49
▸ HTR2B P41595 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTR1A P08908 2/20 0.43
▸ HTR1D P28221 2/20 0.43
▸ HTR1B P28222 2/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AVPR1B P47901 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL20083992 0.89 POLB (0.43) ACKR3POLBHTR1AHTR1DHTR1B
SCHEMBL21844836 0.89 ACKR3 (0.51) ACKR3PARP1HTR2BHTR1AHTR1D
SCHEMBL21844832 0.87 ACKR3 (0.50) ACKR3POLBHTR1AHTR1DHTR1B
SCHEMBL19157145 0.87 POLB (0.42) ACKR3POLBHTR1AHTR1DHTR1B
SCHEMBL20083978 0.86 ACKR3 (0.43) ACKR3HTR1AHTR1DHTR1BROCK2
SCHEMBL19157261 0.82 ACKR3 (0.49) ACKR3PARP1HTR2BHTR1AHTR1D
SCHEMBL20083956 0.82 MCHR1 (0.53) —
SCHEMBL21844912 0.80 MCHR1 (0.42) ACKR3ROCK2
SCHEMBL19157709 0.80 RAB9A (0.49) ACKR3KMT2AKCNH2
SCHEMBL19157071 0.79 ROCK2 (0.49) ACKR3HTR1AROCK2DRD4DRD2

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-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 — — EP disclosed
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