SCHEMBL7979601

SCHEMBL7979601

NCCNC1CCC(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GRIN2B Q13224 2/20 0.49
MPO P05164 1/20 0.44
SMYD3 Q9H7B4 1/20 0.43
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL30046476 0.84 HTR2C (0.40) ALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL19363865 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GRIN2BCARM1PRMT6
SCHEMBL19363864 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GRIN2BCARM1PRMT6
SCHEMBL23633954 0.79 SPHK1 (0.55) ALDH1A1SMN1; SMN2GRIN2BCARM1PRMT6
SCHEMBL5689642 0.78 GRIN2B (0.65) GRIN2BSIGMAR1SPHK1
SCHEMBL5689574 0.78 GRIN2B (0.65) GRIN2BSIGMAR1SPHK1
SCHEMBL22433045 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GRIN2BMPOSMYD3
SCHEMBL5689576 0.78 GRIN2B (0.65) GRIN2BSIGMAR1SPHK1
SCHEMBL17546369 0.78 GRIN2B (0.51) ALDH1A1SMN1; SMN2GRIN2BCARM1PRMT6
Hydrochloric Acid SCHEMBL8009516 0.78 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2SMYD3SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6228861-B1 BENIGN PROSTATIC HYPERPLASIA; ANTICHOLESTEROL AGENTS; IMPOTENCY; INTRAOCULAR PRESSURE; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-08 US disclosed