SCHEMBL23747331

SCHEMBL23747331

CN1CCN(Cc2cn[nH]c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.50
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
CHKA P35790 4/20 0.45
CA2 P00918 1/20 0.42
NCF1 P14598 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL5737465 0.86 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTNPC1TP53
SCHEMBL5907241 0.83 HRH3 (0.48) ALDH1A1KDM4EHRH3
SCHEMBL31010095 0.81 HRH3 (0.52) ALDH1A1KDM4EHRH3
SCHEMBL26546814 0.81 KDM4E (0.42) ALDH1A1KDM4EHRH3
SCHEMBL26098964 0.80 SIGMAR1 (0.52) HRH3
SCHEMBL2462684 0.80 SCN9A (0.38) HRH3
SCHEMBL5740200 0.79 CHEK1 (0.51) LMNAALDH1A1KDM4EMAPTNCF1
SCHEMBL25026804 0.74 CHRM2 (0.47) MAPTTP53
SCHEMBL18097762 0.72 SCN9A (0.41)
SCHEMBL28319481 0.72 MC4R (0.55) MC4RLMNAALDH1A1KDM4EMAPT

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
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed