SCHEMBL11228576

SCHEMBL11228576

c1ccc2c(c1)CCC2CCC1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
BCHE P06276 2/20 0.47
HTR6 P50406 1/20 0.45
GBA1 P04062 1/20 0.42
KDM1A O60341 3/20 0.42
KDM1B Q8NB78 1/20 0.42
NAMPT P43490 1/20 0.39

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
Hydrochloric Acid SCHEMBL11232682 0.98 MTNR1A (0.47) MTNR1AMTNR1BBCHEHTR6GBA1
SCHEMBL11232133 0.91 BCHE (0.48) MTNR1AMTNR1BBCHEHTR6NAMPT
Hydrochloric Acid SCHEMBL11229034 0.89 BCHE (0.47) MTNR1AMTNR1BBCHEHTR6KDM1A
SCHEMBL9635463 0.85 HTR6 (0.46) MTNR1AMTNR1BBCHEHTR6GBA1
SCHEMBL11228929 0.76 MAOA (0.48) MTNR1AMTNR1BHTR6KDM1AKDM1B
SCHEMBL11231387 0.75 GBA1 (0.50) GBA1KDM1AKDM1BNAMPT
SCHEMBL7379841 0.74 HTR6 (0.56) MTNR1AMTNR1BBCHEHTR6
SCHEMBL6248217 0.74 HTR6 (0.51) MTNR1AMTNR1BBCHEHTR6
SCHEMBL7167235 0.74 HTR6 (0.51) MTNR1AMTNR1BBCHEHTR6
SCHEMBL29547256 0.74 BCHE (0.56) MTNR1AMTNR1BBCHEHTR6

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-4357337-A PIPERIDINYLALKYL DERIVATIVES PHARMINDUSTRIE (FR) 1982-11-02 US disclosed