SCHEMBL18837982

SCHEMBL18837982

CC1CCCN(Cc2ncon2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.47
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HRH3 Q9Y5N1 6/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ DRD2 P14416 1/20 0.38
▸ LTA4H P09960 1/20 0.38

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
SCHEMBL18837979 0.84 DRD2 (0.40) LMNAALDH1A1CYP3A4CYP2C19DRD2
SCHEMBL14375263 0.83 ALDH1A1 (0.49) ALDH1A1HRH3DRD2LTA4H
SCHEMBL31010060 0.79 DRD2 (0.47) KDM4EALDH1A1HRH3HRH4CYP2C19
SCHEMBL12449661 0.75 LMNA (0.46) LMNAKDM4EALDH1A1L3MBTL1CYP3A4
SCHEMBL12393 0.75 LMNA (0.46) LMNAKDM4EALDH1A1L3MBTL1CYP3A4
SCHEMBL15014645 0.74 LMNA (0.55) LMNAKDM4EALDH1A1HRH3L3MBTL1
SCHEMBL12518832 0.72 CYP2D6 (0.47) LMNAKDM4EALDH1A1HRH3HRH4
SCHEMBL19850990 0.70 LMNA (0.53) LMNAKDM4EALDH1A1HRH3HRH4
SCHEMBL1201919 0.70 LMNA (0.53) LMNAKDM4EALDH1A1HRH3HRH4
SCHEMBL19674414 0.69 DRD2 (0.45) LMNAALDH1A1HRH3DRD2

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
EP-2917185-B1 SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INT GMBH (DE) 2017-05-10 — — EP disclosed
Send feedback