SCHEMBL28884398

SCHEMBL28884398

COc1ccc(C(=O)c2cnc(C3=CCN(C(=O)O)CC3)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.45
▸ VNN1 O95497 8/20 0.45
▸ NAMPT P43490 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 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
SCHEMBL20760645 0.86 MAPT (0.52) NAMPTMAPTGRM5
SCHEMBL28368651 0.84 NPC1 (0.44) RXFP1VNN1NAMPTLMNANPSR1
SCHEMBL14562979 0.80 QDPR (0.53) NAMPTALDH1A1ALOX15TDP1HPGD
SCHEMBL28368267 0.79 VNN1 (0.44) VNN1ALDH1A1ALOX15HPGDMEN1
SCHEMBL28364566 0.77 ALDH1A1 (0.36) NAMPTALDH1A1ALOX15TDP1MEN1
SCHEMBL28365163 0.76 TRPV1 (0.41) VNN1LMNAALDH1A1MEN1MAPT
SCHEMBL29766145 0.75 RXFP1 (0.48) RXFP1VNN1LMNANPSR1ALDH1A1
SCHEMBL18009528 0.74 ALDH1A1 (0.41) NAMPTALDH1A1ALOX15HPGDMEN1
SCHEMBL15952943 0.74 NAMPT (0.47) NAMPTTDP1MAPK1RAB9AKMT2A
SCHEMBL20760484 0.73 GRM1 (0.60) NAMPTGRM5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891953-B Pyrrolotriazines derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2022-07-12 — — CN disclosed
CN-110891953-A Pyrrolotriazines derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2020-03-17 — — CN disclosed
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