SCHEMBL28073264

SCHEMBL28073264

O=C(Cl)OCc1ccccc1.O=CC1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
NMT1 P30419 1/20 0.46
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
HTR2C P28335 1/20 0.42
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH1 P35367 1/20 0.40

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
Benzyl Carbamate SCHEMBL8333051 0.86 NMT1 (0.46) ALDH1A1NMT1GLATSHRHTR2C
SCHEMBL28299374 0.85 ALDH1A1 (0.65) ALDH1A1NMT1GLATSHRHTR2C
Piperazine SCHEMBL28816742 0.84 ALDH1A1 (0.79) ALDH1A1GLATSHRHTR2CLMNA
SCHEMBL28049319 0.83 ALDH1A1 (0.63) ALDH1A1NMT1TSHRHTR2CHTR1A
SCHEMBL28026009 0.83 ALDH1A1 (0.63) ALDH1A1NMT1TSHRHTR2CHTR1A
SCHEMBL28030486 0.81 ALDH1A1 (0.59) ALDH1A1NMT1TSHRHTR2CHTR1A
SCHEMBL28832220 0.81 ALDH1A1 (0.59) ALDH1A1NMT1TSHRHTR2CNPC1
Pyrrolidine SCHEMBL28053584 0.81 ALDH1A1 (0.73) ALDH1A1GLATSHRHTR2CLMNA
Azetidine SCHEMBL28049251 0.81 ALDH1A1 (0.79) ALDH1A1GLATSHRHTR2CLMNA
SCHEMBL27851588 0.80 HTR1A (0.44) NMT1TSHRHTR2CHTR1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109966294-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-07-05 CN disclosed
CN-109897038-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-06-18 CN disclosed
CN-106397418-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE公司 2017-02-15 CN disclosed
CN-103167867-B Solid dispersion containing apoptosis-inducing medicament ABBVIE 公司 2016-12-21 CN disclosed
CN-103153993-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (BS) 2016-06-01 CN disclosed
CN-105308038-A Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE IP NO 2 LTD 2016-02-03 CN disclosed
CN-104906100-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2015-09-16 CN disclosed
CN-104876927-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LAB 2015-09-02 CN disclosed
CN-102448959-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE BAHAMAS LTD 2015-06-17 CN disclosed