SCHEMBL7864401

SCHEMBL7864401

C=CCN(C)CCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.48
MAPT P10636 1/20 0.48
LSS P48449 6/20 0.46
KDM4C Q9H3R0 9/20 0.45
KDM5A P29375 7/20 0.45
KDM5C P41229 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
PHF8 Q9UPP1 2/20 0.42
KDM4A O75164 2/20 0.42
LMNA P02545 2/20 0.42
EPHX2 P34913 2/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL7866824 0.94 ABCC4 (0.45) ABCC4MAPTLSSKDM4CKDM5A
SCHEMBL3207997 0.86 LSS (0.39) ABCC4MAPTLSSKDM4CKDM5A
Hydrochloric Acid SCHEMBL27738298 0.84 MEN1 (0.42) ABCC4MAPTLSSKDM4CKDM5A
Adipic Acid SCHEMBL27616118 0.82 ABCC4 (0.54) ABCC4MAPTLMNATSHRNFKB1
SCHEMBL11774570 0.79 TSHR (0.60) KDM4CKDM5AKDM5CKDM5BPHF8
SCHEMBL7858923 0.78 TSHR (0.46) LSSKDM4CKDM5AKDM5CKDM5B
Butyric Acid SCHEMBL28800929 0.76 FFAR3 (0.54) ABCC4MAPTKDM5CPHF8TSHR
SCHEMBL25785017 0.76 LSS (0.38) LSS
SCHEMBL4484944 0.75 LSS (0.40) LSS
SCHEMBL4484949 0.75 LSS (0.40) LSS

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-1085667-C Substituted tetracyclic azepine derivatives having affinity for 5-HT2 receptors JANSSEN PHARMACEUTICA NV (BE) 2002-05-29 CN disclosed
EP-0789701-B1 SUBSTITUTED TETRACYCLIC AZEPINE DERIVATIVES WHICH HAVE AFFINITY FOR 5-HT2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2001-02-07 EP disclosed
CN-1162313-A Substituted tetracyclic azepine derivatives having affinity for 5-HT2 receptors JANSSEN PHARMACEUTICA NV (BE) 1997-10-15 CN disclosed
EP-0789701-A1 SUBSTITUTED TETRACYCLIC AZEPINE DERIVATIVES WHICH HAVE AFFINITY FOR 5-HT2 RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-20 EP disclosed
US-5552399-A TREATMENT OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-03 US disclosed
WO-1996014320-A1 SUBSTITUTED TETRACYCLIC AZEPINE DERIVATIVES WHICH HAVE AFFINITY FOR 5-HT2 RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 1996-05-17 WO disclosed