SCHEMBL9019725

SCHEMBL9019725

CCc1c(F)cc(F)c2c1c1c(n2Cc2ccc(-n3ccnc3)cc2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.39
TPH1 P17752 1/20 0.37
TPH2 Q8IWU9 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MCHR1 Q99705 4/20 0.35
LSS P48449 1/20 0.35
PDE2A O00408 1/20 0.34
MAOB P27338 1/20 0.34
HTT P42858 2/20 0.33
ADH5 P11766 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FABP4 P15090 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9019729 0.84 TBXA2R (0.37) GNRHRTPH1TPH2HRH3MCHR1
SCHEMBL9019679 0.72 TBXA2R (0.37) GNRHRHRH3MCHR1LSSMAOB
SCHEMBL9019682 0.66 TBXA2R (0.52) HRH3PDE2ACYP3A4CYP2C9CYP2C19
SCHEMBL17916879 0.66 HRH3 (0.68) HRH3MCHR1LSSPDE2AALDH1A1
SCHEMBL255498 0.65 MAOB (0.62) MAOBHTTCYP1A2CYP3A4CYP2D6
SCHEMBL3139773 0.61 GRIA2 (0.58) CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6994229 0.60 TSHR (0.47) MAOBADH5CYP1A2CYP3A4CYP2D6
SCHEMBL6998233 0.60 TSHR (0.53) ADH5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12310548 0.60 CYP3A4 (0.59) MAOBHTTCYP1A2CYP3A4CYP2D6
SCHEMBL19850982 0.59 PDE2A (0.55) HRH3LSSPDE2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496237-B1 N-imidazolyl derivatives of substituted tetrahydrocarbazole and cyclohept[b]indole PHARMACIA SPA (IT) 1996-02-14 EP claimed
EP-0496237-B1 N-imidazolyl derivatives of substituted tetrahydrocarbazole and cyclohept[b]indole PHARMACIA SPA (IT) 1996-02-14 EP disclosed