SCHEMBL8668070

SCHEMBL8668070

CCCCN(CCC)C(=O)C1c2ccccc2-c2cccc(N3CCC(N4Cc5ccccc5C4)C3)c21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ BCL2 P10415 2/20 0.33
▸ BAD Q92934 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ P2RX1 P51575 2/20 0.33
▸ P2RX4 Q99571 2/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRL1 P41146 1/20 0.32

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
SCHEMBL8485120 0.95 TSHR (0.36) MEN1TSHRKMT2ASMN1; SMN2NPSR1
SCHEMBL8503791 0.93 TSHR (0.37) MEN1TSHRKMT2ASMN1; SMN2NPSR1
SCHEMBL8675063 0.83 L3MBTL1 (0.42) MEN1TSHRKMT2ASMN1; SMN2NPSR1
SCHEMBL8480408 0.82 TMEM97 (0.38) MEN1TSHRKMT2ASMN1; SMN2NPSR1
SCHEMBL8480927 0.81 NPSR1 (0.41) MEN1TSHRKMT2ASMN1; SMN2NPSR1
SCHEMBL8485591 0.81 NPY1R (0.41) MEN1TSHRKMT2ASMN1; SMN2NPSR1
SCHEMBL8664320 0.80 SCN1A (0.36) —
SCHEMBL8669685 0.80 NPSR1 (0.42) NPSR1NAMPTDRD2
SCHEMBL8664246 0.79 SCN1A (0.35) —
SCHEMBL8666693 0.78 SCN1A (0.35) —

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-5827875-A PYRROLIDINE DERIVATIVES; ANTIATHEROSCLEROSIS AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 — — US disclosed
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