SCHEMBL7389082

SCHEMBL7389082

O=C(NCCCN1C[CH]CC1)c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HTT P42858 1/20 0.53

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
SCHEMBL7388218 0.86 ALDH1A1 (0.62) SMN1; SMN2NPC1ALDH1A1LMNAGAA
SCHEMBL7387080 0.84 SIGMAR1 (0.63) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL7386301 0.84 LMNA (0.60) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL7392283 0.83 CCR3 (0.59) SMN1; SMN2ALDH1A1
SCHEMBL7384798 0.82 CCR3 (0.58) SMN1; SMN2ALDH1A1
SCHEMBL7395714 0.81 NPC1 (0.60) SMN1; SMN2NPC1ALDH1A1LMNAGAA
SCHEMBL7386884 0.80 POLB (0.58) SMN1; SMN2NPC1ALDH1A1LMNAGAA
SCHEMBL7389102 0.80 DRD2 (0.60) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL7387157 0.78 HPGD (0.54) SMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL7388016 0.78 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1LMNAGAAMAPT

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-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 — — US disclosed
EP-0774460-A1 BENZOIC ACID COMPOUND AND USE THEREOF AS MEDICINE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-05-21 — — EP disclosed
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