SCHEMBL1198263

SCHEMBL1198263

COCCN1C[C@H](c2ccccc2)CC[C@@H](N(C(=O)O)C(C)(C)C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ SLC18A3 Q16572 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SRD5A1 P18405 1/20 0.36
▸ LIPE Q05469 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL1197428 0.84 CALCRL (0.47) —
SCHEMBL1198387 0.78 LMNA (0.41) LMNASMN1; SMN2SLC18A3KMT2ASRD5A1
SCHEMBL1198385 0.78 LMNA (0.41) LMNASMN1; SMN2SLC18A3KMT2ASRD5A1
SCHEMBL1198383 0.78 LMNA (0.41) LMNASMN1; SMN2SLC18A3KMT2ASRD5A1
SCHEMBL1197441 0.77 SLC18A3 (0.41) LMNASMN1; SMN2SLC18A3KMT2ASRD5A1
SCHEMBL1198584 0.77 SLC18A3 (0.41) LMNASMN1; SMN2SLC18A3KMT2ASRD5A1
SCHEMBL1197439 0.77 SLC18A3 (0.41) LMNASMN1; SMN2SLC18A3KMT2ASRD5A1
SCHEMBL12811890 0.77 LMNA (0.38) LMNASMN1; SMN2SLC18A3KMT2ASRD5A1
SCHEMBL1198583 0.77 SLC18A3 (0.41) LMNASMN1; SMN2SLC18A3KMT2ASRD5A1
SCHEMBL1197443 0.77 SLC18A3 (0.41) LMNASMN1; SMN2SLC18A3KMT2ASRD5A1

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-7893052-B2 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2011-02-22 — — US disclosed
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