SCHEMBL3402067

SCHEMBL3402067

CCn1cc(C(=O)N2CCN(C3CCCC3)CC2)nc1-c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR2C P28335 8/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.42
ACACB O00763 3/20 0.42
ACACA Q13085 3/20 0.42
POLB P06746 1/20 0.42
HIF1A Q16665 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCKAR P32238 1/20 0.41

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
SCHEMBL3399820 0.98 HTR2C (0.44) MEN1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL3405779 0.90 HTR2C (0.45) MEN1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL3404715 0.84 GAA (0.46) HTR2CKDM4EALDH1A1ACACBACACA
SCHEMBL3399942 0.83 HTR2C (0.42) LMNAHTR2CCCKAR
SCHEMBL3401027 0.80 HTR2C (0.46) MEN1KMT2ALMNASMN1; SMN2HTR2C
SCHEMBL3405387 0.80 HTR2C (0.56) MEN1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL3404354 0.80 SIGMAR1 (0.46) LMNAKDM4EALDH1A1
SCHEMBL3403662 0.80 ACACB (0.44) MEN1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL3405408 0.79 HTR2C (0.47) MEN1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL3404758 0.79 HTR2C (0.47) MEN1KMT2ARAB9ALMNASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed