SCHEMBL7787717

SCHEMBL7787717

Cc1cccc(N(C)C(=N)N(c2cccc3c2CCC3)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 0.38
HSD17B2 P37059 10/20 0.38
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SIGMAR1 Q99720 3/20 0.34
OGT O15294 1/20 0.33
NLRP3 Q96P20 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL6728577 0.86 SIGMAR1 (0.50) RXRARXRBRXRGLMNAMAPT
SCHEMBL7622139 0.82 HSD17B1 (0.43) HSD17B1HSD17B2LMNAMAPTSIGMAR1
SCHEMBL7621271 0.79 RXRA (0.38) RXRARXRBRXRGLMNAMAPT
SCHEMBL7779720 0.79 HSD17B1 (0.38) HSD17B1HSD17B2LMNAMAPTSIGMAR1
SCHEMBL6723974 0.77 SIGMAR1 (0.47) RXRARXRBRXRGLMNAMAPT
SCHEMBL6719323 0.76 SIGMAR1 (0.41) RXRARXRBRXRGLMNASIGMAR1
SCHEMBL6719427 0.74 SIGMAR1 (0.44) RXRARXRBRXRGLMNASIGMAR1
SCHEMBL6724017 0.72 SIGMAR1 (0.61) RXRARXRBRXRGLMNAMAPT
SCHEMBL6724170 0.70 SIGMAR1 (0.52) LMNAMAPTSIGMAR1
SCHEMBL6723967 0.70 SIGMAR1 (0.52) LMNAMAPTSIGMAR1

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-6251948-B1 Tri-and tetra-substituted guanidines and their use as excitatory amino acid antagonists STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON 2001-06-26 US claimed
US-5559154-A Tri- and tetra-substituted guanidines and their use as excitatory amino acid antagonists OREGON STATE BOARD OF HIGHER EDUCATION 1996-09-24 US claimed