SCHEMBL30964008

SCHEMBL30964008

N=C(N)N1CCCCC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 11/20 0.43
SPHK1 Q9NYA1 6/20 0.42
OPRD1 P41143 1/20 0.41
PDE2A O00408 1/20 0.40
RIPK1 Q13546 1/20 0.40
ROCK2 O75116 1/20 0.39

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
SCHEMBL6153199 0.86 OPRD1 (0.46) OPRD1PDE2ARIPK1ROCK2
SCHEMBL28170397 0.80 RIPK1 (0.55) RIPK1
SCHEMBL28148131 0.78 TACR1 (0.49) OPRD1RIPK1ROCK2
SCHEMBL17142310 0.77 RIPK1 (0.51) OPRD1RIPK1ROCK2
SCHEMBL8957415 0.76 CCNC (0.46) SPHK2SPHK1RIPK1
SCHEMBL17454889 0.75 RIPK1 (0.50) RIPK1ROCK2
SCHEMBL11436917 0.75 RIPK1 (0.60) RIPK1
Hydrochloric Acid SCHEMBL16610587 0.75 MAOA (0.46) SPHK2SPHK1RIPK1ROCK2
Hydrochloric Acid SCHEMBL16610762 0.75 MAOA (0.46) SPHK2SPHK1RIPK1ROCK2
SCHEMBL29236303 0.74 PDE2A (0.41) OPRD1PDE2A

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-12403139-B2 Methods and compositions for prevention and treatment of cardiac hypertrophy UNIVERSITY OF HAWAII (US) 2025-09-02 US disclosed
US-20240189303-A1 METHODS AND COMPOSITIONS FOR PREVENTION AND TREATMENT OF CARDIAC HYPERTROPHY UNIVERSITY OF HAWAII 2024-06-13 US disclosed