SCHEMBL25897715

SCHEMBL25897715

C[C@H](N)CCCn1ccc2cc(Br)ccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.49
▸ HTR2C P28335 2/20 0.49
▸ PSMB1 P20618 3/20 0.44
▸ PSMB5 P28074 3/20 0.44
▸ TNF P01375 7/20 0.40
▸ GRM2 Q14416 1/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ NTSR1 P30989 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ HTR7 P34969 1/20 0.33

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
SCHEMBL20786928 0.82 HDAC3 (0.47) HTR2AHTR2CPSMB1PSMB5TNF
SCHEMBL25320411 0.81 PSMB1 (0.47) HTR2AHTR2CPSMB1PSMB5TNF
SCHEMBL25320408 0.81 PSMB1 (0.47) HTR2AHTR2CPSMB1PSMB5TNF
SCHEMBL20786901 0.80 TNF (0.41) HTR2AHTR2CPSMB1PSMB5TNF
SCHEMBL1725380 0.80 TNF (0.39) HTR2AHTR2CPSMB1PSMB5TNF
SCHEMBL20808710 0.79 PSMB1 (0.41) HTR2AHTR2CPSMB1PSMB5TNF
SCHEMBL6923560 0.79 GRM2 (0.55) HTR2AHTR2CPSMB1PSMB5TNF
SCHEMBL25898525 0.79 HTR2C (0.40) HTR2AHTR2CPSMB1PSMB5TNF
SCHEMBL20786917 0.78 HTR2A (0.52) HTR2AHTR2CPSMB1PSMB5GRM2
SCHEMBL25897720 0.77 TNF (0.35) TNFGRM2HDAC3HDAC1HDAC6

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
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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