SCHEMBL7386201

SCHEMBL7386201

CN(CCCCCN1CCC(CN)CC1)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
ACHE P22303 5/20 0.50
SIGMAR1 Q99720 3/20 0.50
MAOB P27338 2/20 0.50
CCR3 P51677 1/20 0.48
HTR6 P50406 2/20 0.48
CARM1 Q86X55 2/20 0.47
PRMT6 Q96LA8 2/20 0.47
PRMT8 Q9NR22 2/20 0.47
PRMT3 O60678 1/20 0.47
PRMT1 Q99873 1/20 0.47

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
SCHEMBL7387362 0.91 MAOB (0.47) KCNH2ACHESIGMAR1MAOBCCR3
SCHEMBL7391864 0.81 SIGMAR1 (0.58) ACHESIGMAR1MAOBHTR6
SCHEMBL7392437 0.80 MAOB (0.56) ACHESIGMAR1MAOBHTR6
SCHEMBL30380307 0.79 SIGMAR1 (0.60) SIGMAR1MAOBHTR6CARM1PRMT6
SCHEMBL5368437 0.78 SIGMAR1 (0.75) SIGMAR1CCR3
SCHEMBL19040059 0.77 SIGMAR1 (0.55) ACHESIGMAR1MAOB
SCHEMBL5365334 0.77 SIGMAR1 (0.68) SIGMAR1CCR3
SCHEMBL2353465 0.76 SIGMAR1 (0.59) ACHESIGMAR1MAOBHTR6
Hydrochloric Acid SCHEMBL7255708 0.74 SIGMAR1 (0.58) ACHESIGMAR1MAOBHTR6
SCHEMBL29733117 0.74 SIGMAR1 (0.85) ACHESIGMAR1MAOBCARM1PRMT6

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-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed