SCHEMBL9877388

SCHEMBL9877388

O=C(OCc1ccccc1)[C@@H]1C[C@H]2CCC[C@H]2N1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.49
HTR2C P28335 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 1/20 0.45
CYP3A4 P08684 1/20 0.45
ACE P12821 1/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2C19 P33261 1/20 0.44
PREP P48147 2/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 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
SCHEMBL9878033 1.00 FKBP1A (0.49) FKBP1AHTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL9878265 0.92 HTR2C (0.48) FKBP1AHTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL9877415 0.92 HTR2C (0.48) FKBP1AHTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL3268475 0.91 FKBP1A (0.50) FKBP1ATSHRCYP3A4ACEALOX15
SCHEMBL19042 0.91 ACE (0.53) HTR2CSMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL4796474 0.91 ACE (0.51) FKBP1AHTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL4798767 0.89 FKBP1A (0.49) FKBP1AHTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL4799717 0.89 ACE (0.53) HTR2CSMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL3843206 0.89 ACE (0.53) HTR2CSMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL4848858 0.89 ACE (0.53) HTR2CSMN1; SMN2NPC1RAB9ACYP3A4

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
US-5011940-A Process for the preparation of bicyclic amino carboxylic acids, intermediates in this process, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-30 US disclosed