SCHEMBL8626071

SCHEMBL8626071

O=C(O)C1(c2ccccn2)C=CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
HSD11B1 P28845 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33
CNR2 P34972 1/20 0.33

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
Benzene SCHEMBL28354853 0.77 HDAC4 (0.41) LMNAOPRM1OPRL1HSD11B1KMT2A
SCHEMBL4451679 0.77 HDAC4 (0.41) LMNAOPRM1OPRL1HSD11B1KMT2A
Hydrochloric Acid SCHEMBL27395419 0.77 CES2 (0.35) L3MBTL1LMNANAPRTP4HTMOPRM1
SCHEMBL27731834 0.73 AKR1C1 (0.37) NAPRTHSD11B1KMT2AKDM4EALDH1A1
SCHEMBL11438176 0.73
SCHEMBL29777956 0.72 SLC6A2 (0.36) LMNAP4HTMOPRM1OPRD1OPRK1
SCHEMBL22911623 0.72 SLC6A2 (0.36) LMNAP4HTMOPRM1OPRD1OPRK1
SCHEMBL4630348 0.72 GRIN2B (0.33) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL14685895 0.71 GRIN1 (0.35) LMNAP4HTMOPRM1OPRD1OPRK1
SCHEMBL5969621 0.71 GRIN1 (0.35) LMNAP4HTMOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753648-A THREATING DISEASES CAUSED BY RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-05-19 US disclosed
US-5700796-A USEFUL FOR TREATING CONGESTIVE HEART FAILURE, DISEASE CONDITIONS WITH EXCESS RENAL WATER REABSORPTION AND CONDITIONS WITH INCREASED VASULAR RESISTANCE AND CORONARY VASOCONSTRICTION AMERICAN CYANAMID COMPANY (US) 1997-12-23 US disclosed