SCHEMBL8416635

SCHEMBL8416635

OCC1(c2ccccc2)CCN(CCCc2ccccn2)CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
SIGMAR1 Q99720 6/20 0.40
OPRM1 P35372 3/20 0.38
KCNH2 Q12809 1/20 0.38
OPRL1 P41146 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
POLB P06746 1/20 0.36
FPR3 P25089 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
SCHEMBL8678573 0.83 SIGMAR1 (0.49) SIGMAR1OPRM1MEN1KMT2A
SCHEMBL8416575 0.81 SIGMAR1 (0.46) LMNASIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL8419906 0.81 SIGMAR1 (0.41) LMNAGAASIGMAR1OPRM1KCNH2
Potassium Ion SCHEMBL8416582 0.79 CYP1A2 (0.39) LMNAGAASIGMAR1OPRM1KCNH2
SCHEMBL8416911 0.79 CYP1A2 (0.39) LMNAGAASIGMAR1OPRM1KCNH2
SCHEMBL8419916 0.76 OPRM1 (0.39) SIGMAR1OPRM1KCNH2OPRL1ADRA1D
SCHEMBL8416982 0.76 KCNA3 (0.51) OPRM1KCNH2ADRA1APOLB
SCHEMBL6892997 0.73 LMNA (0.53) LMNAGAASIGMAR1OPRM1OPRL1
SCHEMBL7083719 0.72 POLB (0.56) SIGMAR1KCNH2POLB
SCHEMBL7965697 0.70 KCNA3 (0.57) GAAOPRM1ADRA1DADRA1AADRA1B

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
US-5849762-A Peripherally acting anti-pruritic opiates ADOLOR CORPORATION (US) 1998-12-15 US claimed
US-5888494-A TOPICAL ADOLOR CORPORATION (US) 1999-03-30 US disclosed
US-5849762-A Peripherally acting anti-pruritic opiates ADOLOR CORPORATION (US) 1998-12-15 US disclosed
US-5849761-A Peripherally active anti-hyperalgesic opiates REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-15 US disclosed