SCHEMBL8936036

SCHEMBL8936036

C#CCN(C)CCNC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.38
PYCR1 P32322 3/20 0.38
MAOA P21397 3/20 0.36
APP P05067 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM1A O60341 1/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8936028 0.89 MAOB (0.42) MAOBPYCR1MAOAAPPHRH3
SCHEMBL8936070 0.87 MAOB (0.44) MAOBPYCR1MAOAAPPHRH3
Hydrochloric Acid SCHEMBL8935980 0.87 MAOB (0.41) MAOBPYCR1APPHRH3KDM1A
SCHEMBL8935963 0.83 MAOB (0.41) MAOBAPPHRH3KDM1ATMEM97
SCHEMBL27254382 0.81 MEN1 (0.45) MAOBPYCR1ACHE
SCHEMBL27254355 0.81 ALDH1A1 (0.41) MAOBPYCR1MAOATMEM97SIGMAR1
SCHEMBL25427006 0.81 KMT2A (0.39) TMEM97SIGMAR1SMN1; SMN2
SCHEMBL27254366 0.80 MAOB (0.35) MAOBPYCR1MAOAKDM1AACHE
SCHEMBL26550945 0.80 MAOB (0.35) MAOBPYCR1MAOAAPPHRH3
SCHEMBL29957195 0.78 MAOB (0.41) MAOBPYCR1MAOAKDM1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480988-A USEFUL AS AN IMMUNOSUPPRESSANT, ANTIINFLAMMATORY AGENT, FUNGICIDE, ANTIGROWTH AGENT OR ANTITUMOR AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-02 US claimed
WO-2023110970-A1 MACROCYCLIC BTK INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 WO disclosed
WO-2023110936-A1 REVERSIBLE MACROCYCLIC KINASE INHIBITORS NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) 2023-06-22 WO disclosed
US-5559227-A IMMUNOSUPPRESSANT AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-24 US disclosed
US-5550133-A TREATING RHEUMATOID ARTHRITIS IN MAMMAL AMERICAN HOME PRODUCTS CORPORATION (US) 1996-08-27 US disclosed
US-5504204-A IMMUNOSUPPRESSIVE, ANTIINFLAMMATORY, ANTIFUNGAL, ANTIPROLIFERATIVE AND ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-02 US disclosed
US-5486522-A Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-23 US disclosed
US-5486524-A RESTENOSIS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-23 US disclosed
US-5486523-A ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-23 US disclosed
US-5480988-A USEFUL AS AN IMMUNOSUPPRESSANT, ANTIINFLAMMATORY AGENT, FUNGICIDE, ANTIGROWTH AGENT OR ANTITUMOR AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-02 US disclosed