SCHEMBL6663571

SCHEMBL6663571

Cn1cc(C2CCC(=O)CC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 3/20 0.48
USP2 O75604 1/20 0.48
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IMPDH2 P12268 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
EED O75530 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
MEN1 O00255 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
SCHEMBL17067795 0.87 ALDH1A1 (0.51) LMNAKMT2AALDH1A1USP2CYP1A2
SCHEMBL28127883 0.83 ALDH1A1 (0.49) LMNAKMT2AALDH1A1USP2IMPDH2
SCHEMBL14175011 0.82 LMNA (0.47) LMNAKMT2AALDH1A1USP2CYP1A2
SCHEMBL28779618 0.82 RAB9A (0.48) LMNAKMT2AALDH1A1USP2IMPDH2
SCHEMBL6637142 0.80 DRD2 (0.64) ALDH1A1KDM4EHTR6DRD2SLC6A4
SCHEMBL6636952 0.80 DRD2 (0.64) ALDH1A1KDM4EHTR6DRD2SLC6A4
SCHEMBL5937271 0.79 HTR6 (0.57) LMNAKMT2AALDH1A1USP2GPR84
Hydrochloric Acid SCHEMBL30611185 0.78 SLC6A4 (0.57) LMNAKMT2AALDH1A1USP2HTR6
Hydrochloric Acid SCHEMBL5705102 0.78 SLC6A4 (0.57) LMNAKMT2AALDH1A1USP2HTR6
SCHEMBL6638973 0.77 ADRB2 (0.45) ALDH1A1HTR6DRD2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147083-B1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-06-16 EP disclosed
US-6465482-B2 ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; SEROTONIN-AFFECTED NERVOUS SYSTEM DISORDERS; ACTING AT THE 5-HT1A AUTORECEPTORS CONCOMMITANTLY WITH 5-HT TRANSPORTERS; ANTISEROTONIN AGENTS; SEROTONIN REUPTAKE INHIBITORS; HT3 RECEPTOR ANTAGONISTS WYETH 2002-10-15 US disclosed
US-6313126-B1 FOR THRERAPY OF DISORDERS ASSOCIATED WITH DYSFUNCTION IN SEROTONERGIC NEUROTRANSMISSION, INCLUDING DEPRESSION AND ANXIETY AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1147083-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-24 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed