SCHEMBL6534071

SCHEMBL6534071

CC1CN(Cc2ccc(F)cc2)CCc2cc[c]cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
ABCB1 P08183 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TACR1 P25103 5/20 0.39
DRD4 P21917 3/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
DRD2 P14416 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL28587665 0.77 KMT2A (0.54) KMT2AABCB1DRD2KCNH2MAPK1
SCHEMBL5064520 0.67 CCR1 (0.50) TACR1DRD4BCHEACHEBACE1
SCHEMBL814820 0.67 PDPK1 (0.33) DRD2
SCHEMBL28597653 0.67 HTR1A (0.55) KMT2AABCB1DRD2KCNH2
SCHEMBL20257085 0.67 HRH3 (0.59) SIGMAR1BCHEACHEBACE1
SCHEMBL13726788 0.67 HRH3 (0.59) SIGMAR1BCHEACHEBACE1
SCHEMBL3165269 0.65 MLNR (0.63) KCNH2
SCHEMBL13308196 0.65 MLNR (0.63) KCNH2
SCHEMBL3165020 0.65 MLNR (0.63) KCNH2
SCHEMBL19851034 0.65 ALDH1A1 (0.56) KMT2ABCHEACHEBACE1

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-2005042491-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-05-12 WO claimed