SCHEMBL9701768

SCHEMBL9701768

CCCCC(C(=O)O)C1c2cc(OC)c(OC)cc2CCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 11/20 0.49
▸ MTNR1A P48039 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GRIN2C Q14957 2/20 0.43
▸ MAPT P10636 1/20 0.42

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
SCHEMBL6480453 0.78 MTNR1B (0.56) MTNR1BMTNR1ATRPV1TP53LMNA
SCHEMBL9703245 0.78 KCNN2 (0.50) MTNR1BTP53ALDH1A1LMNAGRIN2C
Hydrochloric Acid SCHEMBL9700855 0.77 KCNN2 (0.51) MTNR1BTP53ALDH1A1LMNAGRIN2C
SCHEMBL1159274 0.74 MTNR1B (0.48) MTNR1BMTNR1ATRPV1TP53NPC1
SCHEMBL12111488 0.73 RXFP1 (0.52) MTNR1BMTNR1ATP53LMNAHTT
SCHEMBL12394443 0.72 MTNR1B (0.49) MTNR1BMTNR1ATP53LMNAGRIN2C
SCHEMBL12394558 0.70 MTNR1B (0.51) MTNR1BMTNR1ATP53LMNA
Hydrochloric Acid SCHEMBL9701984 0.69 KCNN2 (0.52) MTNR1BALDH1A1LMNAGRIN2CMAPT
SCHEMBL10704433 0.69 SMN1; SMN2 (0.51) MTNR1BMTNR1ATRPV1NPC1MITF
SCHEMBL12394466 0.69 MTNR1B (0.49) MTNR1BMTNR1ATP53LMNAGRIN2C

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
WO-1992014465-A1 USE OF ANNULATED TETRAHYDROPYRIDINACETIC ACID DERIVATES FOR TREATING NEUROLOGICAL DISEASES BOEHRINGER INGELHEIM KG (DE) 1992-09-03 — — WO disclosed
EP-0358957-A1 Fused tetrahydropyridineacetic acid derivatives, process for their preparation, and use of such compounds for the cardioprotection BOEHRINGER INGELHEIM KG (DE) 1990-03-21 — — EP disclosed
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