SCHEMBL30824977

SCHEMBL30824977

C[C@H](c1cccc(Cl)c1)n1cc(C(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.47
ADRA1D P25100 1/20 0.45
ADRB1 P08588 4/20 0.43
ADRB3 P13945 4/20 0.43
ALKBH1 Q13686 2/20 0.43
KLKB1 P03952 2/20 0.43
CREBBP Q92793 2/20 0.41
ADRB2 P07550 2/20 0.41
CASR P41180 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL949676 0.84 CREBBP (0.55) EGLN1ALKBH1KLKB1CREBBPTDP1
SCHEMBL12913216 0.84 CREBBP (0.55) EGLN1ALKBH1KLKB1CREBBPTDP1
SCHEMBL947911 0.84 CREBBP (0.55) EGLN1ALKBH1KLKB1CREBBPTDP1
SCHEMBL31043465 0.83 HTT (0.47) ADRA1DKLKB1
SCHEMBL25911583 0.83 HTT (0.47) ADRA1DKLKB1
SCHEMBL31502175 0.83 HTT (0.47) ADRA1DKLKB1
SCHEMBL947800 0.76 CREBBP (0.52) ALKBH1KLKB1CREBBPTDP1
SCHEMBL949139 0.76 CREBBP (0.52) ALKBH1KLKB1CREBBPTDP1
SCHEMBL949190 0.76 CREBBP (0.52) ALKBH1KLKB1CREBBPTDP1
SCHEMBL15520641 0.75 ACHE (0.44) EGLN1ALKBH1KLKB1CREBBPL3MBTL1

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-2023146809-A9 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-03-14 WO disclosed