SCHEMBL9447192

SCHEMBL9447192

CCC(c1ccccc1)N1C=NCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.43
OPRD1 P41143 7/20 0.43
OPRK1 P41145 7/20 0.43
OPRL1 P41146 7/20 0.43
HSD11B1 P28845 2/20 0.40
MC4R P32245 3/20 0.38
CYP17A1 P05093 1/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
LMNA P02545 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9447077 0.87 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1MC4R
SCHEMBL28047160 0.82 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1CYP17A1
Hydrochloric Acid SCHEMBL9280960 0.81 CYP2C19 (0.37) OPRM1OPRD1OPRK1OPRL1SLC6A4
Hydrochloric Acid SCHEMBL28274952 0.81 OPRM1 (0.52) OPRM1OPRD1OPRK1OPRL1CYP17A1
Hydrochloric Acid SCHEMBL9850163 0.80 OPRL1 (0.38) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL27972359 0.77 CYP2D6 (0.52) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL7951502 0.77 CYP2D6 (0.52) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL9447134 0.76 L3MBTL1 (0.37) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL11830842 0.74 LMNA (0.36) OPRM1OPRD1LMNACYP1A2CYP3A4
SCHEMBL4800291 0.72 OPRM1 (0.56) OPRM1OPRD1OPRK1OPRL1MC4R

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-107385449-A A kind of corrosion inhibiter preparation method and application for suppressing carbon steel sour corrosion 中国石油大学(华东) 2017-11-24 CN disclosed
US-5250286-A Treatment of chronic obstructive pulmonary disease (COPD) by inhalation of an imidazoline AEGIS TECHNOLOGY, INC. (US) 1993-10-05 US disclosed
EP-0527925-A4 TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) BY INHALATION OF AN IMIDAZOLINE 1993-09-15 EP disclosed
EP-0527925-A1 TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) BY INHALATION OF AN IMIDAZOLINE AEGIS TECHNOLOGIE, INC. (US) 1993-02-24 EP disclosed
US-5096916-A Administering tolazoline AEGIS TECHNOLOGY, INC. (US) 1992-03-17 US disclosed
WO-1991016891-A1 TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) BY INHALATION OF AN IMIDAZOLINE AEGIS TECHNOLOGY, INC. (US) 1991-11-14 WO disclosed