SCHEMBL7865801

SCHEMBL7865801

COC1CNCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR2A P28223 2/20 0.47
HTR2C P28335 4/20 0.40
HTR2B P41595 2/20 0.40
IDO1 P14902 4/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
PNMT P11086 1/20 0.35
CD44 P16070 1/20 0.35
MAOB P27338 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL31047642 1.00 MEN1 (0.51) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL8037851 0.92 MEN1 (0.45) MEN1CYP3A4CYP2D6KMT2AHTR2A
Hydrochloric Acid SCHEMBL3694587 0.81 HTR2C (0.60) HTR2AHTR2CHTR2BIDO1
SCHEMBL25412282 0.77 HTR2A (0.47) HTR2AHTR2CHTR2BPNMT
SCHEMBL23854676 0.76 MEN1 (0.33) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL11007168 0.75 CYP3A4 (0.42) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL3922304 0.75 MEN1 (0.56) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL329626 0.75 HTR2C (0.67) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL329949 0.75 HTR2C (0.67) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL31159134 0.75 HTR2C (0.67) MEN1CYP3A4CYP2D6KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290334-A Preparation method of Lifeiste key intermediate 上海医药工业研究院有限公司 2024-07-05 CN disclosed
US-6300316-B1 ANTIBIOTICS AS BACTERICIDE PFIZER INC 2001-10-09 US disclosed
US-6025350-A C-4\" substituted macrolide antibiotics PFIZER INC. (US) 2000-02-15 US disclosed
EP-0895999-A1 C-4\" substituted macrolide antibiotics Pfizer Products Inc. (US) 1999-02-10 EP disclosed
US-4760145-A Certain 6,7-methylene dioxydihydro or tetrahydro-isoquinoline derivatives MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1988-07-26 US disclosed
EP-0214905-A2 Tetrahydroisoquinoline derivatives MITSUBISHI KASEI CORPORATION (JP) 1987-03-18 EP disclosed