SCHEMBL19157902

SCHEMBL19157902

O=C(Nc1cc(F)cc(F)c1)c1cccc(CCN2CCN(C(=O)C3CC3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.51
▸ HTR1A P08908 3/20 0.48
▸ HTR1D P28221 3/20 0.48
▸ HTR1B P28222 3/20 0.48
▸ ATM Q13315 1/20 0.46
▸ HTR2A P28223 2/20 0.45
▸ HTR2C P28335 2/20 0.45
▸ HTR7 P34969 2/20 0.45
▸ HTR6 P50406 1/20 0.45
▸ KCNH2 Q12809 2/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ ACKR3 P25106 6/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ HTR1F P30939 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
SCHEMBL19157407 0.93 HTR1A (0.56) RORCHTR1AHTR1DHTR1BATM
SCHEMBL19157247 0.86 RORC (0.49) RORCHTR1AHTR1DHTR1BKCNH2
SCHEMBL21844837 0.85 HTR2A (0.47) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL20083987 0.82 RORC (0.57) RORCACKR3
SCHEMBL20083978 0.80 ACKR3 (0.43) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL21844944 0.78 HTR1A (0.54) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL20083988 0.77 RORC (0.48) RORCHTR1AHTR1DHTR1BHTR2A
SCHEMBL15276824 0.77 TSHR (0.60) MEN1KMT2A
SCHEMBL19157408 0.76 MEN1 (0.51) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL13150784 0.74 MEN1 (0.64) HTR2AKCNH2MEN1KMT2A

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-2794565-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2017-07-26 — — EP disclosed
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