SCHEMBL9505541

SCHEMBL9505541

CC(NCCc1ccccc1)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.58
SIGMAR1 Q99720 2/20 0.51
TAAR1 Q96RJ0 2/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
EPHX1 P07099 3/20 0.49
LMNA P02545 1/20 0.49
ALOX12 P18054 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
OPRK1 P41145 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL15131195 0.91 EPHX2 (0.66) EPHX2SIGMAR1EPHX1KMT2AMEN1
SCHEMBL15131218 0.91 EPHX2 (0.66) EPHX2SIGMAR1EPHX1KMT2AMEN1
SCHEMBL8907879 0.83 EPHX2 (0.50) EPHX2SIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL23023176 0.83 EPHX2 (0.50) EPHX2SIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL9390747 0.81 SIGMAR1 (0.50) EPHX2SIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL4971804 0.79 SIGMAR1 (0.63) EPHX2SIGMAR1SMN1; SMN2KMT2AMEN1
SCHEMBL17604761 0.78 SIGMAR1 (0.50) EPHX2SIGMAR1SMN1; SMN2EPHX1ALDH1A1
SCHEMBL17605508 0.78 SIGMAR1 (0.50) EPHX2SIGMAR1SMN1; SMN2EPHX1ALDH1A1
SCHEMBL17605316 0.78 SIGMAR1 (0.50) EPHX2SIGMAR1SMN1; SMN2EPHX1ALDH1A1
Hydrochloric Acid SCHEMBL17605202 0.77 SIGMAR1 (0.49) EPHX2SIGMAR1RAB9ASMN1; SMN2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540576-A1 PSYCHOACTIVE DRUG AND TREATMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-05-12 EP claimed
WO-1992001449-A1 PSYCHOACTIVE DRUG AND TREATMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1992-02-06 WO claimed
CN-116635508-A Alkaline ashless additive and lubricating composition containing the same 路博润公司 2023-08-22 CN disclosed
EP-0540576-A1 PSYCHOACTIVE DRUG AND TREATMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-05-12 EP disclosed