SCHEMBL29916259

SCHEMBL29916259

C[C@H](Nc1ccc2[nH]ccc2c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MAPT P10636 3/20 0.54
PTGS2 P35354 1/20 0.52
MAOB P27338 4/20 0.51
MAOA P21397 3/20 0.51
SYK P43405 1/20 0.48
EPHX1 P07099 2/20 0.46
BCL2 P10415 1/20 0.46
MCL1 Q07820 1/20 0.46
NOTUM Q6P988 1/20 0.44

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
SCHEMBL6706650 1.00 NPC1 (0.54) NPC1RAB9AMAPTPTGS2MAOB
SCHEMBL6706648 1.00 NPC1 (0.54) NPC1RAB9AMAPTPTGS2MAOB
SCHEMBL19747119 0.81 TPH1 (0.43) NPC1RAB9AMAPT
SCHEMBL4413540 0.81 TAS1R3 (0.47) NPC1RAB9AMAPTPTGS2MAOB
SCHEMBL4993805 0.81 TAS1R3 (0.47) NPC1RAB9AMAPTPTGS2MAOB
SCHEMBL13144734 0.80 MAOB (0.51) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL8535983 0.77 MAOB (0.59) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL30795393 0.77 MAOA (0.56) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL7023745 0.77 TAS1R3 (0.60) NPC1RAB9AMAPTPTGS2MAOB
SCHEMBL18642545 0.76 JAK2 (0.43) NOTUM

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
US-20220395553-A1 CXCR4 ANTAGONIST PEPTIDES COHBAR, INC. 2022-12-15 US disclosed
US-20220324909-A1 THERAPEUTIC PEPTIDES COHBAR, INC. 2022-10-13 US disclosed