SCHEMBL7358166

SCHEMBL7358166

O=C1NCCN1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CYP2A13 Q16696 1/20 0.35
EPHX2 P34913 2/20 0.33
USP2 O75604 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.31
BMPR1A P36894 1/20 0.30
ACVRL1 P37023 1/20 0.30
ACVR1 Q04771 1/20 0.30

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
SCHEMBL14992795 0.72 HSD11B1 (0.36) HSD11B1CYP2A13EPHX2
SCHEMBL4504957 0.72 HCAR1 (0.38) HSD11B1ALDH1A1POLBKDM4E
SCHEMBL4504953 0.72 HCAR1 (0.38) HSD11B1ALDH1A1POLBKDM4E
SCHEMBL30797142 0.69 KDM4E (0.37) ALDH1A1KDM4E
SCHEMBL27163368 0.68
SCHEMBL206786 0.68 CHRNB2 (0.40) HSD11B1ALDH1A1CYP2A13KDM4ETDP1
SCHEMBL2999017 0.67 HSD11B1 (0.39) HSD11B1
SCHEMBL14244119 0.67
SCHEMBL4946426 0.67 CYP2A13 (0.42) HSD11B1CYP2A13USP2KDM4ETDP1
SCHEMBL146122 0.66 ALDH1A1 (0.32) HSD11B1ALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459145-A Calcium independent camp phosphodiesterase inhibitor antidepressant PFIZER INC. (US) 1995-10-17 US disclosed
US-5294730-A A-Amino-4-alkoxy-3-polycycloalkyloxybenzyl cyanide derivatives PFIZER INC. (US) 1994-03-15 US disclosed
EP-0247725-B1 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER (US) 1994-03-02 EP disclosed
US-5196426-A CALCIUM INDEPENDENT C AMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER INC. (US) 1993-03-23 US disclosed
US-5128358-A Aryl substituted nitrogen heterocyclic antidepressants PFIZER INC. (US) 1992-07-07 US disclosed
EP-0247725-A2 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER INC. (US) 1987-12-02 EP disclosed
WO-1987006576-A1 CALCIUM INDEPENDENT CAMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER INC. (US) 1987-11-05 WO disclosed