SCHEMBL7306646

SCHEMBL7306646

O=C1CCC(N2CCC(Cc3ccccc3)CC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 3/20 0.75
▸ CCR3 P51677 2/20 0.53
▸ SLC18A3 Q16572 1/20 0.52
▸ ALOX15 P16050 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PRMT3 O60678 1/20 0.49
▸ CARM1 Q86X55 1/20 0.49
▸ PRMT6 Q96LA8 1/20 0.49
▸ PRMT1 Q99873 1/20 0.49
▸ PRMT8 Q9NR22 1/20 0.49

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
SCHEMBL5675291 0.83 GBA1 (0.57) GRIN2BCCR3ALDH1A1PRMT3CARM1
SCHEMBL2337033 0.82 GRIN2B (0.71) GRIN2BCCR3SLC18A3ALDH1A1PRMT3
Hydrochloric Acid SCHEMBL2335739 0.81 GRIN2B (0.69) GRIN2BCCR3SLC18A3ALDH1A1PRMT3
SCHEMBL13498072 0.79 GRIN2B (0.72) GRIN2BCCR3SLC18A3PRMT3CARM1
Bicarbonate SCHEMBL2854194 0.78 GBA1 (0.52) CCR3MEN1KMT2A
SCHEMBL7301028 0.78 SMN1; SMN2 (0.58) KMT2A
SCHEMBL3699320 0.77 GBA1 (0.50) GRIN2BCCR3SLC18A3
SCHEMBL6399920 0.76 GBA1 (0.53) GRIN2BCCR3SLC18A3PRMT3CARM1
Formic Acid SCHEMBL29099960 0.76 GBA1 (0.49) GRIN2BCCR3MEN1KMT2A
SCHEMBL6398813 0.75 GBA1 (0.52) GRIN2BCCR3SLC18A3ALDH1A1PRMT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153611-A AS NON-DOPAMINERGIC ANTIISCHEMIC COMPOUNDS FOR TREATING BRAIN DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-28 — — US disclosed
EP-0546583-B1 Piperazinyl-and piperidinyl-cyclohexanols BRISTOL MYERS SQUIBB CO (US) 1996-05-22 — — EP disclosed
US-5478828-A Anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-26 — — US disclosed
EP-0560669-B1 Piperazinyl-and piperidinyl-cyclohexenes and cyclohexanes BRISTOL MYERS SQUIBB CO (US) 1995-06-14 — — EP disclosed
US-5387593-A Anxiolytic agents BRISTON-MYERS SQUIBB (US) 1995-02-07 — — US disclosed
EP-0560669-A1 Piperazinyl-and piperidinyl-cyclohexenes and cyclohexanes Bristol-Myers Squibb Company (US) 1993-09-15 — — EP disclosed
EP-0546583-A1 Piperazinyl-and piperidinyl-cyclohexanols Bristol-Myers Squibb Company (US) 1993-06-16 — — EP disclosed
Send feedback